task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cc(-c2[nH]c(c3sccc3n2)=O)cc1)-c1nc(C)sc1
### Response:
Cc1nc(-c2cccc(-c3nc4ccsc4c(=O)[nH]3)c2)cs1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N[C@@H]1C[C@@](C1(C)C)(OC)C)(COCCC)=O
### Response:
CCCOCC(=O)N[C@@H]1C[C@](C)(OC)C1(C)C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=c1[nH]c(CSc2nnnn2C2CCCC2)nc2sc3c(c12)CCCC3
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(N(C)C)ccc1[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1C#N)[NH+](C)C
### Response:
CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2C#N)[NH+](C)C)cc1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
[NH3+]C[C@H]1CC[C@@H](C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)O1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]CC(F)(C(F)(F)F)C(F)(F)F
Fragment 2: [7*]CC(=O)[O-]
### Response:
O=C([O-])/C=C\C(F)(C(F)(F)F)C(F)(F)F |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCCC[C@@H]1C[C@@H]1C(=O)Nc1ncc2c(n1)CC(C)(C)CC2=O
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C([O-])Cc1ccc(-c2cccc(F)c2F)cc1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCc1cc(N[C@H](C)C(=O)N2CCOCC2)nc(-c2ccccn2)n1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(c(Cl)cc(cc1)NC(C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1)=O)Cl
### Response:
O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)Nc1cccc(NC(=O)CCc2c(C)[nH]c(=S)[nH]c2=O)c1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC[NH2+]C[C@H](Cc1cscn1)c1cccc(F)c1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1F
Fragment 2: [4*][C@@H](C)c1ccccc1F
### Response:
CCNC(=O)COc1cccc(NC(=O)N(C)[C@@H](C)c2ccccc2F)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](Oc1ccccc1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Nc1ccc(Oc2nc3ccccc3n3cnnc23)cc1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C=C[C@@H](C)NC(=O)Nc1ccc2c(c1)COC2
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[C@H](C(=O)NCc1ccc(C(=O)[O-])o1)c1ccccc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c([N+](=O)[O-])cc(cc1)[C@@H](Oc1ccc(S(=O)(=O)C)cc1)C
### Response:
C[C@H](Oc1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOCCCNC(=O)C(=O)Nc1cccc2c1CCCC2
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC
Fragment 2: [1*]C(=O)C([1*])=O
### Response:
CCOCc1ccc(NC(=O)C(=O)NC[C@H](C)C#N)cc1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
NC(=O)c1nc(-c2ccccc2Cl)nc2c1[nH]c(=O)n2-c1ccc(Cl)cc1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCc1nc2ccccc2n1C1CCN(c2ccnc(Cl)c2)CC1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
Cc1sc(NC(=O)c2cc(Br)cs2)c(C#N)c1C
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)N1CCN([5*])CC1
Fragment 2: [16*]c1ccc(F)cc1
### Response:
O=C(Nc1ccc(Cl)cc1F)N1CCN(c2ccc(F)cc2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1nc(C)cs1
Fragment 2: [5*]N([5*])CC
### Response:
CCN(CC(N)=S)Cc1nc(C)cs1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)N[C@@H]1CCCn2c(C)nnc21
Fragment 2: [5*][NH+](C)C1CCCCC1
### Response:
Cc1nnc2n1CCC[C@H]2NC(=O)NCCC[NH+](C)C1CCCCC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
S(=O)(=O)(C)c1ccc(NC(N2C[C@@H]([C@@H](O)C2)N2CCOCC2)=O)cc1
### Response:
CS(=O)(=O)c1ccc(NC(=O)N2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc2c(c1)C(=O)C(=O)N2C(C)C
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1nc(N2CCOCC2)c2c(C(=O)N3CCc4ccccc43)c(C)oc2n1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H](Sc1sc(NC2CC2)nn1)(C(=O)Nc1cc(c(cc1)F)Cl)C
### Response:
C[C@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ccc(F)c(Cl)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C12S(NCNC=2N(C[NH+](C)C1)C)(=O)=O
### Response:
CN1C[NH+](C)CC2=C1NCNS2(=O)=O |
functional_group | ### Instruction:
Does the molecule contain a ether group?
Cc1nc(NC(=O)/C=C/c2cc(Br)ccc2F)sc1C
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc2ccccc2c2C3=C([C@H](c4ccc(cc4)N(CC)CC)Nc21)C(CC3)=O
### Response:
CCN(CC)c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC3)cc1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
CCCOc1ccc(C(=O)CCC(F)(F)F)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cc(C(=O)OCC(=O)Nc2cccc(C(C)=O)c2)ccc1C
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=[N+](c1c(NCc2ccc(nc2)N2CC[NH+](CC2)C)ccc(C(=O)C)c1)[O-]
### Response:
CC(=O)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c([N+](=O)[O-])c1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
OC1CCC([NH2+][C@H]2CCCc3ccc(Br)cc32)CC1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CNC(=O)[C@@H](C)CN(C)C(=O)C[C@@H]1CCS(=O)(=O)C1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc(C)c1NC(=O)Nc1ccc(N2CCCC2)c(C(=O)N[C@H](C)c2ccccc2)c1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1cnnn1
Fragment 2: [5*]N[C@H]1CCCC[C@@H]1C
### Response:
Cc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)cc1-n1cnnn1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)CC[NH+]1CCN(C(=O)c2nc(C3CC3)n[n-]2)CC1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C)c(c(nn1-c1sc2ccc(c(c2n1)Cl)Cl)C)C(=O)NN
### Response:
Cc1nn(-c2nc3c(Cl)c(Cl)ccc3s2)c(C)c1C(=O)NN |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C([C@H]1CSCN1C(=O)c1ccc(-n2ccnn2)cc1)N1CCCC1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C#CCN(C(=O)[C@@H]1SCCc2sccc21)[C@H]1CCS(=O)(=O)C1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CCC(CC)/C([O-])=N/S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc(c(CN(C2CCCC2)Cc2cnc3n2cccn3)c1F)F
### Response:
Fc1cccc(F)c1CN(Cc1cnc2ncccn12)C1CCCC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(NC(C2CCN(C(Cc3ccccc3)=O)CC2)=O)scc1
### Response:
O=C(Nc1nccs1)C1CCN(C(=O)Cc2ccccc2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12ccccc1[nH]cc2C(NCc1nc(OCC(F)F)ccc1)=O
### Response:
O=C(NCc1cccc(OCC(F)F)n1)c1c[nH]c2ccccc12 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(n(nc1C(C)C)C)NC(=O)c1c(cn[nH]1)Br
### Response:
CC(C)c1nc(NC(=O)c2[nH]ncc2Br)n(C)n1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
O=C(CN1C(=O)CCc2cc(Br)ccc21)NCCN1CCc2ccccc2C1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]1OCC[C@H]1C(=O)Nc1cc[nH+]cc1[O-]
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ncccc1S(N)(=O)=O
Fragment 2: [16*]c1ccccc1
### Response:
NS(=O)(=O)c1cccnc1NCc1[nH]c(-c2ccccc2)c[nH+]1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
[NH3+][C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COCc1ccccc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(C)C(C1C(C)=NC2CC(CC(C=2[C@H]1c1cc(c(OC)c(OC)c1)OC)=O)(C)C)=O
### Response:
COC(=O)C1C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H](NC(=O)C1CCOCC1)(C(=O)N)[C@@H](C)CC
### Response:
CC[C@H](C)[C@H](NC(=O)C1CCOCC1)C(N)=O |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F)c1cccc2cn[nH]c12
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H](C)(CN(C(=O)Nc1nccs1)C(C)C)O
### Response:
CC(C)N(C[C@@H](C)O)C(=O)Nc1nccs1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COCC[C@](C)(O)C1(C[NH3+])CCC(C)(C)CC1
### Response:
4 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)C(N)=O
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(n[n-]c1C(F)(F)F)NC(c1c(Cl)cccc1)=O
### Response:
O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1Cl |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O[C@@H](Cn1cnc([N+](=O)[O-])c1)COc1cccc(C(=O)C)c1
### Response:
CC(=O)c1cccc(OC[C@@H](O)Cn2cnc([N+](=O)[O-])c2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(cc(c1F)N1CC(C1)CCC)C(=O)[O-]
### Response:
CCCC1CN(c2cc(C(=O)[O-])ccc2F)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOC(=O)c1c(N/C=C2/C(=O)N(c3ccccc3)N=C2C)sc2c1CC[C@H](C)C2
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC[NH+]([5*])C
Fragment 2: [3*]OCC[NH+]([5*])C
### Response:
CC(C)[NH+](C)CCOCC[NH3+] |
functional_group | ### Instruction:
Does the molecule contain a ester group?
COC(=O)c1ccc(C(=O)NCCc2cc(C)ccc2OC)cn1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(n1c(nnc1N(C)C)S[C@H](C(=O)Nc1cc(C#N)ccc1)C)C
### Response:
CC(C)n1c(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)nnc1N(C)C |
functional_group | ### Instruction:
Does the molecule contain a ether group?
[NH3+][C@@H](CC[C@@H]1CCCO1)c1ccc(Cl)c2ccccc12
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CCC(=O)NC1CC1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)OCC[NH+]1CCC[C@@H]1[C@@H]1CCCC1=O
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc(C)n(CC(=O)N2CCC(n3c(C4CCC4)nc4cc(F)ccc43)CC2)n1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
NC(=O)c1ccc(NC(=O)NCc2ccc3c(c2)CCC3)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCSc1ccccc1OC(=O)Cc1csc(-c2ccoc2)n1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C([NH+]1C[C@@H]([C@@H](N[C@@H](C)CO)C1)C)(C)C
### Response:
CC(C)[NH+]1C[C@H](N[C@@H](C)CO)[C@@H](C)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOC(C(=O)NN1CCCCC1)(c1ccccc1)c1ccccc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1sc([C@@H](NC(c2c(NCCC)cc(C)cc2)=O)C)nc1
### Response:
CCCNc1cc(C)ccc1C(=O)N[C@@H](C)c1nccs1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C/[NH+]=C(/NCCc1ncc(C)s1)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C=C[C@H](C)NC(=O)Nc1ccc(COc2ccccc2)cc1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [6*]C(=O)N/N=C1/C(=O)N(CN2CCCC2)c2ccc(Br)cc21
Fragment 2: [16*]c1ccc(OC)cc1
### Response:
COc1ccc(C(=O)N/N=C2/C(=O)N(CN3CCCC3)c3ccc(Br)cc32)cc1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
O=C(NCCc1ccccc1)c1cccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)c1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CC(C)[NH+]1CCC(C(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)CC1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cccc(N2CCN(c3nn(-c4ccccc4)nc3C#N)CC2)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@@H](C)c1ccc(C)c(F)c1
Fragment 2: [5*]N[C@H]([8*])C
### Response:
Cc1ccc([C@H](C)NC(=O)NCC(=O)Nc2cccnc2)cc1F |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cc2ccccc2cc1O
Fragment 2: [6*]C(=O)N/N=C(\CC)c1ccc(O)cc1
### Response:
CC/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc(O)cc1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C([O-])CCCCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc2nc(SCC(=O)Nc3cccc4c([O-])n[nH]c(=O)c34)[nH]c2c1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c2ccccc2ccc1C(N1CCN(S(=O)(c2cc(F)ccc2)=O)CC1)=O
### Response:
O=C(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1noc(NC(=O)CCOC(C)C)n1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(c1ccccc1OC)CCNC(Cn1c(=O)c2ccccc2s1)=O
### Response:
COc1ccccc1OCCNC(=O)Cn1sc2ccccc2c1=O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[4*]
Fragment 2: [5*]Nc1cccc(Cl)c1C
### Response:
Cc1c(Cl)cccc1NC(=O)CSc1nnc2nc([O-])c(C(C)(C)C)nn12 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccccc1OC
Fragment 2: [5*]NC(=S)NC
### Response:
CNC(=S)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1OC |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1ccc2c(c1)c(CNC(=O)c1occc1C)nn2C
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC(=O)N1CCN(CCc2nc(-c3ccccc3)no2)CC1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c2c(C)nn(C)c2n1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C(=O)N1[C@H](C)CCC1)C[NH+](C)C[C@@H](CN1CCOCC1)O
### Response:
C[C@@H]1CCCN1C(=O)CC[NH+](C)C[C@H](O)CN1CCOCC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C[C@@H]([8*])[NH3+]
Fragment 2: [16*]c1ccccc1
### Response:
CC1(C)CCN(c2nc(C[C@H]([NH3+])c3ccccc3)cs2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCS(=O)(=O)CCn1ccc(N[C@@H](C)c2cccc(Cl)c2)n1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OC(F)F
Fragment 2: [4*]Cc1nnc2n1CCCCC2
### Response:
COc1cccc(CNCc2nnc3n2CCCCC3)c1OC(F)F |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](CNC(=O)C(=O)Nc1ccc(-n2cncn2)cc1)Oc1ccccc1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1cccc(Cl)c1Cl
Fragment 2: [5*]NCc1csc([14*])n1
### Response:
CN(C)c1nc(CNCc2cccc(Cl)c2Cl)cs1 |
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