task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(Oc2ccc(NC(=O)N(C)Cc3ccccc3O)cn2)cc1C
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(Cc1cc(-c2cccnc2)no1)C[C@]1(O)CC[NH2+]C1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C=Cc1ccc2nc(C(F)(F)F)c(C#N)c(N)c2c1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(F)ccc(N2[C@]3(CCC[C@@H](CC)C3)C[NH+]=C2N)c1
### Response:
CC[C@@H]1CCC[C@@]2(C[NH+]=C(N)N2c2ccc(F)cc2)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1F
Fragment 2: [4*][C@H](CC)CN[5*]
### Response:
CC[C@H](CNC(=O)c1occc1Br)Oc1ccccc1F |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCc1ccc(-n2nc(CO)c(C(=O)NCc3cccc(OC)c3)n2)cc1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(ccc(c1)OCC(Nc1ccn(C)n1)=O)CCC(C)=O
### Response:
CC(=O)CCc1ccc(OCC(=O)Nc2ccn(C)n2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H]1Oc2ccc(NC(=O)c3cccc(OC)c3)cc2CN(Cc2cccc(OC)c2)C1=O
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1csc([C@@H](NC(=O)N[C@H]2CCC[C@H](C(=O)NC(C)C)C2)C2CC2)n1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]1CN(c2nc3ccccc3c3nnc(-c4cccs4)n23)CCN1C(=O)c1ccc(F)cc1F
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cccc([16*])c1
Fragment 2: [5*]Nc1cnn(C[8*])c1
### Response:
C[S@](=O)Cc1cccc(C(=O)Nc2cnn(Cc3ccccc3)c2)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(NC[C@H]1COC2(CCCCC2)O1)c1ccncc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(c1ccccc1-c1cncnc1)(=O)Oc1ccc(C(CC)=O)cc1
### Response:
CCC(=O)c1ccc(OC(=O)c2ccccc2-c2cncnc2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cn1ncc2c1N=C(O)CS[C@H]2c1ccc2ncccc2c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOC(=O)N1CCN(C(=O)[C@@H](CC)N(c2ccccc2)S(C)(=O)=O)CC1
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(N3CCOCC3)c(F)c2)C1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cccc(CN2CCN(CCO)[C@@H]3CS(=O)(=O)C[C@@H]32)c1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC
Fragment 2: [1*]C(=O)c1c([14*])nn([9*])c1[14*]
### Response:
CCOC(=O)[C@@H]1CCCN(C(=O)c2c(C(C)C)nn(-c3ccc(C)cc3)c2C(C)C)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCC
Fragment 2: [4*]Cc1ccccc1
### Response:
CCCN(Cc1ccccc1)C(=O)Nc1ccccc1N1CCCC1=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(N/N=C\c1ccco1)C(=O)N/N=C\c1ccco1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+](C)C1C[C@@H](C)C[C@@H](C)C1
Fragment 2: [4*]Cc1ncnn1C
### Response:
C[C@@H]1CC([NH+](C)Cc2ncnn2C)C[C@H](C)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(c1cccs1)(=O)Nc1ccc(Cl)c(N2S(CCC2)(=O)=O)c1
### Response:
O=C(Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1)c1cccs1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)CNC(=O)CNC(=O)N[C@H]1CC(=O)N(C2CC2)C1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc(C)c([16*])c1
Fragment 2: [1*]C(C)=O
### Response:
CC(=O)Nc1ccc(C)c(NC(=O)NCc2cccc(OCC(C)C)c2)c1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cccs1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(/C=C/c1ccco1)N1CC[C@@H]2CCCC[C@@H]21
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
C[C@H]1CCCCN1c1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1N
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCNC(=O)C1CCN(C2=NS(=O)(=O)C(c3ccc(OC)cc3)=C2C)CC1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2CCC[NH+]21
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(Cc1ccc(C)cc1)C(c1cc(c(c(c1)OC)OC)OC)=O
### Response:
COc1cc(C(=O)NCc2ccc(C)cc2)cc(OC)c1OC |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)NC[C@H]1CCCN(C(=O)CCC2CCCCC2)C1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [6*]C(=O)c1ccc(F)cc1
Fragment 2: [9*]n1ccnn1
### Response:
O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)CCCn2ccnn2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCc1noc(CS(=O)(=O)Cc2nc(-c3cccs3)no2)n1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1csc([C@H](C)N(C)Cc2nc(NC3CCCCC3)c3ccccc3n2)n1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(S(=O)(=O)Cc2nc([O-])c3sc(-c4ccccc4)cc3n2)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C=C(C)C[C@@H]([NH3+])C1(c2ccccc2)CCCC1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cncc(C)c1
Fragment 2: [1*]C(=O)C1CCN([5*])CC1
### Response:
Cc1cncc(C(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(NC(NNC(c1sc(Cc2ccccc2)nc1)=O)=O)CCC
### Response:
CCCCNC(=O)NNC(=O)c1cnc(Cc2ccccc2)s1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(Nc2ncc(CN3CCN(c4cn[nH]c(=O)c4)CC3)s2)cc1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](CCCO)NC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
### Response:
5 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
C[C@@H]1CCCC[C@@]1(O)c1ccc(Cl)cc1F
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1cc2c(=O)n3c(nc2s1)CCN(C(=O)c1ccccn1)CC3
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN1C(=O)C(=Cc2ccc([N+](=O)[O-])o2)C(=O)N(C)C1=S
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*][C@@H]1C(=O)N=C2C=CC=CN2C1=O
Fragment 2: [16*]c1ccccc1
### Response:
O=C1N=C2C=CC=CN2C(=O)[C@@H]1c1ccccc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@]12(C[NH+](CC1)Cc1n(C)cnn1)CCCN(C1CCCC1)C2=O
### Response:
Cn1cnnc1C[NH+]1CC[C@]2(CCCN(C3CCCC3)C2=O)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CNC(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(C)cc([C@@H](C)[NH2+]CC)c1OCc1nc(c(s1)C)C
### Response:
CC[NH2+][C@H](C)c1cc(C)ccc1OCc1nc(C)c(C)s1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H]1(c2cc(Cl)sc2CC1)[NH2+][C@H]1C[C@@H](C(N)=O)CCC1
### Response:
NC(=O)[C@H]1CCC[C@@H]([NH2+][C@H]2CCc3sc(Cl)cc32)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [11*]Sc1cn[nH]n1
Fragment 2: [1*]C(=O)[C@H]([4*])[8*]
### Response:
O=C(NC1CCCCCC1)[C@H](Sc1cn[nH]n1)c1ccccc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H]1CCCCC[NH+]1CCCOC(=O)NC(N)=O
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(-c2ccc(cc2)NC(c2ccc(cc2)Cl)=O)cc[nH]1
### Response:
O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(Cl)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH2+]C[C@@H]1CCO[C@H]1[13*]
Fragment 2: [8*]C(C)(C)C
### Response:
CCc1ncc(C[NH2+]C[C@@H]2CCO[C@H]2C(C)(C)C)s1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)(C)CC(=O)N1CCN(C(=O)c2ccn3ccsc23)CC1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CC[8*]
Fragment 2: [16*]c1ccc(Cl)cc1
### Response:
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C/[NH+]=C(\NCc1ccc(N2CCOCC2)cc1)NCc1ccsc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCOC[C@H]2C(N)=O)c1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1(=O)/C(SC(N1CC=C)=O)=C\c1c([N+]([O-])=O)cccc1
### Response:
C=CCN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O |
functional_group | ### Instruction:
Does the molecule contain a halide group?
Cc1nc([C@H](Nc2ncc(C(N)=O)cc2Cl)c2ccccc2)n[nH]1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(NC(c2cccc(c2)S(N2CCCC2)(=O)=O)=O)ccc1F
### Response:
O=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(c(-n2ncnc2)ccc1C(F)(F)F)NC(CSc1n(c(-c2ccc(Cl)cc2)nn1)N)=O
### Response:
Nn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)nnc1-c1ccc(Cl)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCC=C
Fragment 2: [5*]Nc1ccc(C)cc1
### Response:
C=CCNC(=O)[C@@H](C)[NH+]1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1cccc(C)c1N[C@@H]1CC[NH2+]C1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Brc1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H](C)CN(CC)c1ccc(CCl)nn1
### Response:
4 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(Br)cc1Br
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC[C@H](NC(=O)NCc1nc(C)c(C)o1)c1ccc(F)c(F)c1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC[NH2+][C@@H](C)c1cccc(N2CC3(CCOCC3)C2)c1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
CC1(C)CN(C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)CCO1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CC[C@H]([15*])C1
Fragment 2: [4*]Cc1ccco1
### Response:
COc1ccccc1[C@H]1CCN(Cc2ccco2)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc2cc(OC)ccc2oc1=O
Fragment 2: [5*]Nc1cc(OC)c(Cl)cc1OC
### Response:
COc1ccc2oc(=O)c(C(=O)Nc3cc(OC)c(Cl)cc3OC)cc2c1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
Cc1ccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)CCO3)c(Cl)c1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Nn1c(SCc2ccc(F)cc2)nnc1-c1ccccn1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)Oc1ccccc1Cl
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccccc1-c1cc(NC(=O)c2csc([N+](=O)[O-])c2)n(C)n1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
N#Cc1cc(C(=O)c2ccccc2)[nH]c1N1CCN(c2ccccc2)CC1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NC[C@H](O)c1c(F)cccc1F)c1cccc(OCC(F)F)n1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[NH+](C)(Cc1c(C)cccn1)C[C@@H]1CCCO1
### Response:
Cc1cccnc1C[NH+](C)C[C@@H]1CCCO1 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
C[C@H]1C[C@@H](NCCc2nc3cc(F)ccc3n2C)C[NH+]1C
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@H]([8*])C
Fragment 2: [5*]N1CCOCC1
### Response:
C[C@H](C(=O)NCCN1CCOCC1)n1c(=O)c(C(F)(F)F)nc2ccccc21 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C(C)(C)C
Fragment 2: [4*]C[C@H]1CCCO1
### Response:
CC(C)(C)c1ncc(C[NH+](Cc2ccco2)C[C@H]2CCCO2)s1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(CC)n(nc(c1C[NH+](C)Cc1ncc(CC)s1)CC)C
### Response:
CCc1cnc(C[NH+](C)Cc2c(CC)nn(C)c2CC)s1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1S(C[C@H]2N=C(SCc3ccccc3)N([C@H]21)C)(=O)=O
### Response:
CN1C(SCc2ccccc2)=N[C@@H]2CS(=O)(=O)C[C@@H]21 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc([16*])cc1
Fragment 2: [3*]OC(C)C
### Response:
Cc1oc(S(N)(=O)=O)cc1C(=O)Nc1ccc(OC(C)C)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@@H](C)c1sc(CC)nc1C
Fragment 2: [5*][NH2+]CC1(C2CC2)CC1
### Response:
CCc1nc(C)c([C@H](C)[NH2+]CC2(C3CC3)CC2)s1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH2+]C1CCC([NH3+])CC1
Fragment 2: [4*][C@H](C)c1nncn1C
### Response:
C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1nncn1C |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CN(Cc1nccn1CC(F)(F)F)S(=O)(=O)c1ccc(C(F)(F)F)cc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1C
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C1C(=O)N(CCC[NH+]2CCOCC2)[C@@H](c2ccccc2)/C1=C(\O)c1ccccc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccccc1Cl
Fragment 2: [9*]n1nnnc1S[11*]
### Response:
Cc1ccc(-n2nnnc2SCc2ccccc2Cl)cc1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CC[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)Oc1cccc(F)c1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(NC(=S)NC(=O)/C=C/c2ccc(C)cc2)cc1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1ccc(NC(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)cc1C
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N#CCn1c2ccc(cc2cc1)C=O
### Response:
N#CCn1ccc2cc(C=O)ccc21 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc2OC[C@@H](c2cc1)C(Nc1c(n(cc(Br)c1)C)=O)=O
### Response:
Cn1cc(Br)cc(NC(=O)[C@H]2COc3ccccc32)c1=O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC1([15*])CCOCC1
Fragment 2: [5*][NH2+]CC1([15*])CCOCC1
### Response:
C[C@@H]([NH2+]CC1(c2cccc(Cl)c2)CCOCC1)C(=O)Nc1ccccc1C#N |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(cc(C(F)(F)F)c1)CN1C(NC(C)(C[C@]1(O)C)C)=S
### Response:
CC1(C)C[C@@](C)(O)N(Cc2cccc(C(F)(F)F)c2)C(=S)N1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(CCNc2nc3ccccc3c3nnc(C)n23)cc1OC
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(C[C@@H](O)C[C@@H]1C1CCCCC1)C(=O)Nc1c(cccc1C)CC
### Response:
CCc1cccc(C)c1NC(=O)N1C[C@@H](O)C[C@@H]1C1CCCCC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NS(=O)(=O)c1c(F)cccc1F
Fragment 2: [1*]C(=O)c1snnc1C
### Response:
Cc1nnsc1C(=O)N1CCC(CNS(=O)(=O)c2c(F)cccc2F)CC1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COc1ccc2nc(N3CCCCC3)c(C#N)cc2c1
### Response:
Yes |
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