task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1nc(CNC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)c(C)s1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(C(=O)c1cccc(I)c1)[C@@H]1CCS(=O)(=O)C1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(N2CCN(c3nccn4c(=O)n(CC(=O)NC5CCCCC5)nc34)CC2)cc1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H]1CCCC[NH+]1CC(=O)N(C)c1nc2ccccc2s1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1noc(C)c1[C@@H](C)NC(=O)CCCNC(=O)C1CC1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CCCc1nc(-c2cc(Cl)cs2)nc(NC)c1Br
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(S(=O)([C@@H](C[NH3+])C)=O)CC(CC1)(C)C
### Response:
C[C@H](C[NH3+])S(=O)(=O)N1CCC(C)(C)C1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1c(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(=O)n(-c2ccccc2)n1C
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
Cc1ccc2ncc(C(=O)Nc3ncccc3OCc3ccncc3)n2c1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a halide group?
Cc1nn(-c2ccccc2F)c2ncc3c(c12)C(=O)N(c1ccc(C(C)C)cc1)C3=O
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1ccccc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [12*]S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O
Fragment 2: [5*]N1CCN([5*])CC1
### Response:
COc1ccc(N2CCN(S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)CC2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
Nn1c(SCc2ccc(F)cc2)nnc1-c1ccccn1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a halide group?
O=C(c1cccnc1Cl)N(CC1CCC1)c1ccccc1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a halide group?
Cc1ccc(C(=O)COc2ccc(Cl)cc2N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(Nc1ccc(F)cc1)N[C@H]1CCN(Cc2cnc(Cl)s2)C1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]([NH2+]CCNC(=O)c1ccco1)c1nccs1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(C(Cc2cc(O)c(C)cc2)=O)C[C@H](CCC1)N1C(=O)NCC1
### Response:
Cc1ccc(CC(=O)N2CCC[C@H](N3CCNC3=O)C2)cc1O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NC[C@@H]1CCS(=O)(=O)C1
Fragment 2: [4*]C[C@@H]1CCS(=O)(=O)C1
### Response:
O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC(CO)CC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc(SCc2ccccc2)ncc1N
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H](C)([NH2+]C)c1c(OCCN2CCOCC2)ccc(c1)F
### Response:
C[NH2+][C@H](C)c1cc(F)ccc1OCCN1CCOCC1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CC[C@@H](NC(=O)C[C@H](C)NC(=O)C1CCCC1)c1ccc(C)c(F)c1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(Oc1ccc(cc1)OCC(N1CCN(CC1)c1nccn1-c1cccc(Cl)c1)=O)C
### Response:
CCOc1ccc(OCC(=O)N2CCN(c3nccn3-c3cccc(Cl)c3)CC2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
OC[C@H]1CCC[C@@H]1Nc1cc(C(F)(F)F)nc2ncnn12
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CC(C)OCCS(=O)(=O)N(C)Cc1ccc(O)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)(C[N+](C)(C)C)[C@@H]1O[C@H]2CCCC[C@@H]2C2=C1CCCC2
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+](C)C
Fragment 2: [4*]Cc1cccnc1
### Response:
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2ccc(SCc3cccnc3)cc2)C1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCONC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(CN(CCc2ccccc2)C(=O)[C@H](C)NC(N)=O)s1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1(=S)S/C(=C\NCc2ccc(cc2)OC)C(=N1)[O-]
### Response:
COc1ccc(CN/C=C2\SC(=S)N=C2[O-])cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COCCN1CCC[C@](O)(CN2CCN(c3nc(C)cc(C)n3)CC2)C1=O
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc([C@@H](C[NH3+])C(C)C)cc1OC
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(Br)cc1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
N#C/C(C(=O)C=C1CCSCC1)=C(/[O-])Nc1ccccn1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NCCc1cnn(-c2ccccc2)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]1(C[C@@H](/C(C)=C\CC[NH2+]C)CCC1)S(C)(=O)=O
### Response:
C[NH2+]CC/C=C(/C)[C@H]1CCC[C@@H](S(C)(=O)=O)C1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CN(Cc1[nH]cc(-c2ccc(Br)cc2)[nH+]1)C[C@H]1CCOC1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1cccc(N[5*])c1
Fragment 2: [1*]C(C)=O
### Response:
CC(=O)Nc1cccc(CN[C@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(N/N=C/c1ccc(cc1)Oc1ccccc1)OCC
### Response:
CCOC(=O)N/N=C/c1ccc(Oc2ccccc2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
OCC1([NH+](C)Cc2c(nn(C)c2OC)C)CCSCC1
### Response:
COc1c(C[NH+](C)C2(CO)CCSCC2)c(C)nn1C |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1nnc(CSCc2ccc(F)cc2F)n1C
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(C(=O)C1[C@H](C(=C(OC=1N)C)C(OC(C)(C)C)=O)c1ccc(C#N)cc1)C
### Response:
COC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(C#N)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1cc(OC)c(NC(=O)Nc2c(-c3cccnc3)[nH]c3ccccc23)cc1Cl
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(Cc1ccccc1Cl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(c1ccc(Br)nc1)N1CCC[C@H]1c1cccnc1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(NCC(=O)N/N=C/c2cn(C)nc2)ccc1OC
### Response:
COc1ccc(NCC(=O)N/N=C/c2cnn(C)c2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc([16*])c(Cl)c1
Fragment 2: [1*]C(=O)c1ccc([16*])cc1
### Response:
NC(=O)c1ccc(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1nc(O)c2c1N=C(C)S[C@@H]2c1cccnc1
Fragment 2: [15*]C1CCCC1
### Response:
CC1=Nc2c(c(O)nn2C2CCCC2)[C@@H](c2cccnc2)S1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C1[C@@H](Sc2nncn2C2CC2)CCN1c1ccccc1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
Oc1ccc(C[C@@H]2CCC[C@H](O)C2)cc1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(NCCN1CC[NH2+]CC1)N1CCCCCC1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccccc1C
Fragment 2: [1*]C(=O)[C@H]1CCCN1C([1*])=O
### Response:
Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2C)cc1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(CC(C)C)c1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1(C(OCC)=O)[C@@H](c2ccccc2)[C@@H](NN=1)C(=O)c1ccc(OC)cc1
### Response:
CCOC(=O)C1=NN[C@@H](C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(C)c(Br)c1
Fragment 2: [1*]C(=O)N[5*]
### Response:
Cc1ccc(NC(=O)NCCCN2CCOCC2)cc1Br |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CC[8*]
Fragment 2: [5*]N[C@H]([8*])C1CCOCC1
### Response:
COc1ccc([C@@H](NC(=O)CCc2cc(F)ccc2F)C2CCOCC2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(nc(c(cc1)OCC(=O)N[C@H](C)CC)C[C@H]([NH3+])C)C
### Response:
CC[C@@H](C)NC(=O)COc1ccc(C)nc1C[C@@H](C)[NH3+] |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O[C@H]1CSc2nc(-c3ccccc3)nn2C1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
C/C=C(\C)C(=O)N1CCN(Cc2cc(OC)cc(OC)c2)CC1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
CC(C)OC[C@@H]([NH3+])[C@H]1CCc2ccccc2C1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COCCCNC(=O)Cn1cccc1[C@@H](C)O
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1
Fragment 2: [12*]S(=O)(=O)c1cccc(F)c1
### Response:
O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1cccc(F)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)CCc1cs/c(=N\S(=O)(=O)c2cc(C)c(C)s2)[nH]1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1)[C@H](C)CC(Nc1c(F)cccc1Br)=O
### Response:
C[C@H](CC(=O)Nc1c(F)cccc1Br)c1ccccc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C#CCOc1ccc(cc1OC)/C=N/O
### Response:
C#CCOc1ccc(/C=N/O)cc1OC |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)N1CCCC1=O
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cccc(NC(=O)C(=O)NCCc2cn3ccccc3n2)c1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(C)c(OCC)c2)C1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
FC(Oc1cccc(NC(=O)NCCc2sccc2)c1)F
### Response:
O=C(NCCc1cccs1)Nc1cccc(OC(F)F)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(NC(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)cc1-n1cnnn1
### Response:
4 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[C@H]1NC(=O)[C@H](CC)N(Cc2cscc2C)C1=O
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C1N=C([O-])[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C(=O)N1c1ccc(Cl)cc1
### Response:
5 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(=O)c1cc(F)c(C)cc1N1CCO[C@H](C)C1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CNC(=O)c1ccc(N2CCN(Cc3cc(=O)n4ccsc4[nH+]3)CC2)c([N+](=O)[O-])c1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CN(C)S(=O)(=O)N1CC[NH+](CCc2c(C(F)(F)F)cccc2)CC1
### Response:
CN(C)S(=O)(=O)N1CC[NH+](CCc2ccccc2C(F)(F)F)CC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc(C(F)F)n2ncc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4Cl)c3)c2n1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(-c2n[nH]cc2C(=O)N[C@@H](C)c2ccccc2)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Fc1c(ccc([C@@H]2[C@@H](CCO2)NC(NCCC[S@@](C)=O)=O)c1)Cl
### Response:
C[S@@](=O)CCCNC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(N[C@H](c1ccccc1)c1ccco1)c1ccc(N2CCNC2=O)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C(c1ccc(CN2CCc3sccc3C2)cc1)N1CCCC1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1F
Fragment 2: [5*]N[C@@H]([8*])c1ccccc1F
### Response:
Cc1nc([C@H](NC(=O)[C@H]2CCO[C@@H]2C)c2ccccc2F)no1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCCC1=c2ccccc2=[NH+]C1
Fragment 2: [8*]CC1=c2ccccc2=[NH+]C1
### Response:
O=C(NCCC1=c2ccccc2=[NH+]C1)[C@@H]1N[C@@H](CC2=c3ccccc3=[NH+]C2)NO1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Nc1ccc(N2CCOCC2)nc1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COC(=O)[C@@H]1CCCC[C@H]1NC(=O)CCC(=O)c1ccc(F)cc1F
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2ccc(SCc3cccnc3)cc2)C1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cc(F)ccc1F
Fragment 2: [16*]c1ccc(F)cc1
### Response:
C[C@@H]([NH2+]Cc1ccn(-c2ccc(F)cc2)n1)c1cc(F)ccc1F |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=S1(=O)C[C@H]([C@@H](CCl)c2ccc(Cl)cc2)c2ccccc21
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
Cc1nc2ccc(NC(=O)c3ccc4c(c3)C(=O)c3ccccc3-4)cc2o1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
c1ccc(-c2cc(CSC[C@H]3CCCO3)on2)cc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccs1
Fragment 2: [13*][C@@H]1CCC[NH2+]1
### Response:
C[C@H](Cc1cccs1)[NH2+][C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[C@H]1CCN(C(=O)NCCC(=O)N2CCCCC2)[C@@H](C)C1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
Cc1occc1C(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1[O-]
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COc1cc(OC)c(N[C@H](C)C(=O)c2c[nH]c3ccccc23)cc1F
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CS(=O)(=O)NC[C@@H]1CCCCN1c1nc2ccccc2o1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
Cc1ccc(NC(=O)C[C@H](c2cccc(F)c2)n2cccc2)cc1F
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1c(F)cccc1F
Fragment 2: [1*]C(=O)C[4*]
### Response:
C[C@@H](Cc1c(F)cccc1F)NC(=O)C[NH+]1CCc2sccc2C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H]1CC[C@H](CO)C[NH+]1Cc1cc2c(cc1O)OCO2
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCN1C(=O)[C@@H](CC(=O)Nc2cccc(OC)c2)S/C1=N\S(=O)(=O)c1ccc(Cl)s1
### Response:
2 |
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