task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(c1ccsc1)Oc1ccc(cc1)-n1nnnc1
### Response:
O=C(Oc1ccc(-n2cnnn2)cc1)c1ccsc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nn(C)c(C)c1CCC(=O)N1CCN(C(=O)c2ccccc2F)CC1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H]1C[C@H](C)CN(C(=O)[C@@H](C)n2sc3ccccc3c2=O)C1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CC[C@H](C)NC(=O)c1cc(-c2ccc(OC)cc2)nc2cc(-c3ccccc3)nn12
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NCCSc1ccc(Cl)cc1)NCC1CC1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(CN([C@H]1CCC[NH+](C)C1)C)N1CCC(CC1)[NH3+]
### Response:
CN(CCN1CCC([NH3+])CC1)[C@H]1CCC[NH+](C)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(N2CC[NH+]3CCCC[C@@H]3C2)cc1OC
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H]1CCCC[C@@H]1CNC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc(C#N)c(C)n1
Fragment 2: [5*]N1CCCC[C@H]1C
### Response:
Cc1nc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)ccc1C#N |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
S=C(Nc1ccc(NC(=O)c2cccs2)cc1)NC(c1c(OC)c(C)ccc1)=O
### Response:
COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(NC(=O)c2cccs2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCCN[5*]
Fragment 2: [5*]N(C)c1ccccc1F
### Response:
CN(CCCNC(=O)[C@@H]1CCCN1C(N)=O)c1ccccc1F |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
Cc1ccc([C@]2([NH3+])CC[C@@H]2C)cc1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCOc1cc2c(cc1CSCc1nnnn1-c1ccccc1)O[C@H](C)C2
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]Cc1ccc(OC)cc1
Fragment 2: [3*]Oc1ccc2cn[nH]c2c1
### Response:
COc1ccc(CN2C[C@@H](C(=O)Oc3ccc4cn[nH]c4c3)CC2=O)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(CC(Nc1cc(ccc1NC(C)C)F)=O)c1ccc([N+](=O)[O-])cc1
### Response:
CC(C)Nc1ccc(F)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COc1cccc(NC(=O)C2CCN(C(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(OC)c(-c2cc(C(=O)NC[C@]3(O)CCOc4ccccc43)n(C)n2)c1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(=O)N=P(N1CCCCC1)(N1CCCCC1)C(C)(C)C
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CO[C@@H]1CS(=O)(=O)C[C@H]1OC
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(CC=C(c2cc(C)cc(C)c2)CC1)C(N[C@H]1CS(=O)(CC1)=O)=O
### Response:
Cc1cc(C)cc(C2=CCN(C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc(cc1NC(=O)CNC(Nc1nnc(s1)CCCC)=O)F
### Response:
CCCCc1nnc(NC(=O)NCC(=O)Nc2cccc(F)c2)s1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@@H]([8*])C1CCC1
Fragment 2: [1*]C(=O)c1ccc2c(c1)COCO2
### Response:
O=C(N[C@@H](c1ccccc1)C1CCC1)c1ccc2c(c1)COCO2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(C)=O
Fragment 2: [5*]N[C@H]([8*])c1ccc(F)cc1
### Response:
CC(=O)N[C@@H](c1ccc(F)cc1)c1ccc(Br)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1ccco1
Fragment 2: [16*]c1ccccc1
### Response:
CN1CCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)[C@H](c2ccccc2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CO[C@@H](C)c1nc(Cl)c2c(n1)CCC2
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc([14*])nc1
Fragment 2: [11*]SCC
### Response:
CCSc1ccc(NC(=O)C(=O)NCc2nc3ccccc3s2)cn1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
COc1ccc(C)cc1CN1CCN(C(=O)c2ccccc2SCC(=O)N2CCCC2)CC1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NS(N)(=O)=O
Fragment 2: [1*]C(=O)C[8*]
### Response:
NS(=O)(=O)NC[C@H]1CCCN(C(=O)C[C@@H]2CCCCO2)C1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
C[C@@H]1[C@@H](C)CCN1C(=O)c1cnn2cc(Br)cnc12
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(C(CCS(=O)(=O)c1ccccc1)=O)NC(=O)Cc1nc2c(cccc2)n1C
### Response:
Cn1c(CC(=O)NNC(=O)CCS(=O)(=O)c2ccccc2)nc2ccccc21 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=[N+]([O-])c1ccc(/N=C/c2ccccc2OCc2ccccc2)c(O)c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH2+]CCC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CN(/C(=[NH+]/C2CC2)N)CCC1C
### Response:
CC1CCN(/C(N)=[NH+]/C2CC2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](Cc1ccc(F)cc1)C(=O)N1CCCC[C@@H]1Cn1cccn1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COc1ccc([C@@H]2C=C(c3ccc(C)cc3)N=C3NN=NN32)cc1OC
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C=CC[C@H]([NH2+]CCCF)c1ccccc1F
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cc(C#N)cn1C
Fragment 2: [6*]C(=O)[C@@H]([8*])C#N
### Response:
Cn1cc(C#N)cc1C(=O)[C@H](C#N)c1nnc(-c2ccccc2)n1C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NCc1cccc(F)c1)NCc1ccc(C(=O)[O-])o1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOCc1ccc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)Nc1ccc2c(c1)OCCCO2
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C1CCC(C(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)=NN1
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Nc1cnc(Nc2ccc3c(c2)C(=O)NC3=O)c(Br)c1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
Cc1ccc(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])cc1N
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2C(F)(F)F)NC(=O)N1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccs1
Fragment 2: [5*]N(C)C[8*]
### Response:
CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1csc(-c2cccs2)n1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CCCn1nnnc1NC(=O)c1cccc(OCC(C)C)c1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C(Cl)(Cl)[C@]1(C)C(=O)OCc1nc(cs1)C1CC1
### Response:
C[C@@]1(C(=O)OCc2nc(C3CC3)cs2)CC1(Cl)Cl |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc(c(OC)c1)[C@@H](CNC(Cc1c2c(cccc2)c(=O)[nH]n1)=O)[NH+]1CCCC1
### Response:
COc1ccccc1[C@@H](CNC(=O)Cc1n[nH]c(=O)c2ccccc12)[NH+]1CCCC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]([NH2+]C[C@@H](O)c1ccncc1)C1CCCC1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1(CCN(CC1)C(CCC)=O)C(=O)NC(C)(C)C
### Response:
CCCC(=O)N1CCC(C(=O)NC(C)(C)C)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]Cc1ccc(F)cc1
Fragment 2: [8*]Cn1c([14*])nc2ccccc21
### Response:
COc1cccc(C(=O)N[C@@H](C)c2nc3ccccc3n2Cc2ccc(F)cc2)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[C@@H](C)NC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
Cc1cccc2cc(CO)c(N3CCN(C4Cc5ccccc5C4)CC3)[nH+]c12
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](CNc1ccccc1OC(F)(F)F)C(N)=O
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(cc2c1OC1(CCCC1)O2)NC(C1=NNC(=O)CC1)=O
### Response:
O=C1CCC(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)=NN1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)c1nc(NCCC(=O)Nc2nccs2)c2cnn(C)c2n1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cc1c(C)cc(N2C[C@H](c3nnc(s3)NC(c3cc(OC)c(cc3)OC)=O)CC2=O)cc1
### Response:
COc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)s2)cc1OC |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]([NH3+])CCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1
### Response:
5 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cc(CNC([C@@H](C2CCN(C(=O)c3cc4c([nH]3)cc(cc4)OC)CC2)C)=O)cc1)F
### Response:
COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NCc4cccc(F)c4)CC3)[nH]c2c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc2oc(C)nc2c1
Fragment 2: [1*]C(=O)CN[5*]
### Response:
Cc1nc2cc(NC(=O)CNC(=O)c3sc4ccccc4c3Cl)ccc2o1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)c1ccc(-n3ncc(Cl)c(Cl)c3=O)cc1)C2
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(-c2cnc(cc2)N[C@H]2CN(CC2)C(=O)OC)[nH]c(=O)cc(n1)CC
### Response:
CCc1cc(=O)[nH]c(-c2ccc(N[C@@H]3CCN(C(=O)OC)C3)nc2)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C[C@@H](C)C(=O)[O-]
Fragment 2: [16*]c1ccc([16*])cc1
### Response:
C[C@H](Cc1ccc(C2CC2)cc1)C(=O)[O-] |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@H]([8*])C
Fragment 2: [14*]c1noc([14*])n1
### Response:
C[C@H](NC(=O)C[S@@](=O)Cc1nc(-c2ccccc2)no1)c1ccccc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[4*]
Fragment 2: [11*]Sc1cc(N)ccc1C
### Response:
Cc1ccc(N)cc1SCC(=O)NC1(C#N)CCCC1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
CC[C@@H]([NH3+])Cc1cccn1Cc1ccnc2ccccc12
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cc(C)c2cc(C[NH+](Cc3ccccc3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c2c1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCC[NH2+][C@H](Cc1cc(F)cc(F)c1)c1cscc1Br
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC[C@@](C)(NS(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-]
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(/C=C/c1c(C)n(nc1C)-c1ccc(cc1)F)(=O)N[C@]1(CS(CC1)(=O)=O)C
### Response:
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)N[C@]1(C)CCS(=O)(=O)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COCCn1cnnc1S[C@@H](C)C(=O)Nc1cc(F)ccc1C
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)c1cccc2ccccc12
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(c([nH+]cn1C[C@H](N[C@H](C(=O)OC(C)(C)C)C)C)C)C
### Response:
Cc1[nH+]cn(C[C@@H](C)N[C@@H](C)C(=O)OC(C)(C)C)c1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccc(OC)c(OC)c1Cl
Fragment 2: [16*]c1cccc(F)c1
### Response:
COc1ccc(CNC[C@H](O)c2cccc(F)c2)c(Cl)c1OC |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1Sc1cccc(F)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]C/C([O-])=N/c1nc([14*])n[nH]1
Fragment 2: [7*]Cc1ccc(F)cc1
### Response:
[O-]C(/C=C/c1ccc(F)cc1)=N\c1nc(C(F)(F)F)n[nH]1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C([C@H]1CSCN1C(=O)CCCc1cc(F)ccc1F)N1CCCC1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1cc(Cl)ccc1Cl
Fragment 2: [3*]OCc1cc(Cl)ccc1Cl
### Response:
C[C@H]([NH3+])COCc1cc(Cl)ccc1Cl |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COC(=O)[C@]1(N)CCC[C@H]1CCSc1ccc(C)c(C)c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)O[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc(F)cc2)C1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)CN(C(=O)COc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C([C@@H]1CCC[C@](C1)(C#N)Cc1nccs1)C
### Response:
CC[C@@H]1CCC[C@](C#N)(Cc2nccs2)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H]1CC(C(=O)NCCc2nc(C(C)(C)C)cs2)C[C@@H](C)O1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(C(=O)/C=C/c2cccc(O)c2)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)n1cnnc1CCN1C[C@](C)(Cc2ccc3c(c2)OCO3)CCC1=O
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCN(C(=O)c1nc(C2CC2)n2ccccc12)[C@@H]1CCS(=O)(=O)C1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cn2c(CN3CCO[C@H](c4ccc(F)c(F)c4)C3)c(C)nc2s1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
N#Cc1ccc(F)c(CNC(=O)c2cccc(OC(F)F)c2)c1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
Cc1ccc(CC(=O)Nc2ccccc2Sc2nc(Br)nn2C)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cscn1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1c(C)nn(C)c1C
Fragment 2: [5*]N1CCC([15*])CC1
### Response:
Cc1nn(C)c(C)c1CCNC(=O)CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*][C@@H]1CCCC[C@@H]1C#N
Fragment 2: [9*]n1cc[nH+]c1[14*]
### Response:
CC(C)c1[nH+]ccn1[C@@H]1CCCC[C@@H]1C#N |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(=O)n2CC(=O)NCc2ccco2)CC1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
N#Cc1ccccc1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-]
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H]1Cc2ccccc2S1
Fragment 2: [5*]N([5*])CC
### Response:
CCN(C(=O)[C@@H]1Cc2ccccc2S1)[C@H]1CCC[C@@H]1C[NH3+] |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CS(=O)(=O)N[C@@H]1CCCN(C(=O)C2CCCC2)C1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cccc(N2CCN(C(=O)NCc3ncn(C)n3)CC2)c1C
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CC[C@@](C)(Nc1cc([N+](=O)[O-])ccc1C)C(=O)[O-]
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N(C)C[8*]
Fragment 2: [4*]Cc1nc([14*])no1
### Response:
CN(Cc1nc(-c2ccccn2)no1)C[C@H](O)c1ccccc1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc([N+](=O)[O-])c1O
### Response:
No |
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