task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
S(N(C)C)(N1CCN(c2nc(ncc2)N2CCCCC2)CC1)(=O)=O
### Response:
CN(C)S(=O)(=O)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N\c3cccc(Cl)c3)S2)cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cc(Cl)c2OCCOc12)C(NCCSCc1ccccc1C#N)=O
### Response:
N#Cc1ccccc1CSCCNC(=O)c1cc(Cl)c2c(c1)OCCO2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(ccc(Cl)c1)CN(C)C(c1cc(-c2cnccc2)nc2ccccc12)=O
### Response:
CN(Cc1ccc(Cl)cc1)C(=O)c1cc(-c2cccnc2)nc2ccccc12 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)N2CCS(=O)CC2)cc1C
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)(O)CNC(=O)CCn1nc([O-])c2ccccc2c1=O
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc(F)cc(F)c1
Fragment 2: [5*]N(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O
### Response:
CN(C(=O)c1cc(F)cc(F)c1)[C@@H]1CCCC[C@H]1S(C)(=O)=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(C(CO)(CO)CCSc2ccccc2)cc1
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cc1c(C[NH+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)c(Cl)n(CC(C)C)n1
### Response:
Cc1nn(CC(C)C)c(Cl)c1C[NH+](C)[C@@H]1CCN(CC(F)(F)F)C1=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(Br)cc(NC[C@](C)(O)c2ccccc2)c(C(N)=O)c1F
### Response:
C[C@](O)(CNc1cc(Br)cc(F)c1C(N)=O)c1ccccc1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCOC(=O)c1c(NC=[N+](C)C)c2cc(OC)ccc2n1C
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)Nc1nnc(CCc2ccccc2)s1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [12*]S(=O)(=O)c1ccccc1
Fragment 2: [1*]C(=O)C[4*]
### Response:
Cn1cnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc2c(CSc3nnc(-c4cccs4)o3)cc(=O)oc2c1C
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C=CCO[C@@H](C)C(=O)N1CCN(C[C@H](C)O)CC1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CC[NH2+]C[C@@]1(c2ccc(OC)cc2)CCC[C@@H]1C
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)(C)[C@H](Cl)CC[C@@H]1COc2ccccc21
### Response:
5 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C(Cc1cccc(F)c1F)Nc1cccc(Br)n1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1nc(n(c1SCC(=O)Nc1ccccc1)[C@@H](c1ccccc1)C)-c1ccoc1C
### Response:
Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1[C@H](C)c1ccccc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[NH+]1CCN(NC(=O)CCSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)CC1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(CCN1CCNC[C@H]1C#N)c1ccc(F)cc1
### Response:
N#C[C@@H]1CNCCN1CCOc1ccc(F)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1nn(CC(=O)N(C)C2CCSCC2)c(=O)n1CCc1ccccc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCN1CC(=O)Nc2cc(C(=O)O[C@@H](C)C3CC3)ccc21
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H](C)C[8*]
Fragment 2: [5*]N[C@H]([8*])CC
### Response:
CC[C@H](NC(=O)[C@@H](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1C[C@H](C)OC[C@H]1CC
Fragment 2: [4*][C@]1(CO)CC[C@@H]([15*])C1
### Response:
CC[C@@H]1CO[C@@H](C)CN1[C@@H]1CC[C@@](CO)([NH2+]C2CC2)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=S(=O)(CCCF)N1CCC(c2c[nH]c3ncccc23)CC1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC1([15*])CCCC1
Fragment 2: [5*]N1CC[NH+]2CCCC[C@@H]2C1
### Response:
C[NH2+]CC1(CN2CC[NH+]3CCCC[C@@H]3C2)CCCC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCn1cc(S(=O)(=O)NCCc2cscn2)cn1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[4*]
Fragment 2: [5*]N1[C@H]([13*])SC[C@@H]1[13*]
### Response:
CCC[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)CN1CCC([NH3+])CC1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CS(=O)(=O)N1C[C@H](C(N)=O)Oc2ccccc21
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCc1ccc([C@@H](NC(=O)N2CCCN(C(=O)CC)CC2)C(C)C)cc1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(cnc1C)C(=O)Nc1c(Oc2c(c(ccc2)C)C)nccc1
### Response:
Cc1ccc(C(=O)Nc2cccnc2Oc2cccc(C)c2C)cn1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CCCc1c(C[NH2+]C)cnn1[C@@H](C)CC
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CCCC(C)(C)NC(=O)Nc1ccccc1S(=O)(=O)C(C)C
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CCOc1ccc(OC)cc1NC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccnc(Nc2nc(CC(=O)NCc3ccc(S(N)(=O)=O)cc3)cs2)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
Cn1cc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cn1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C2=NC=NC3=NC=N[C@@H]32)C1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COCC[NH2+][C@@H](C)[C@@H](C)c1ccc(C)cc1C
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[NH2+]Cc1c(C)nn(C)c1Oc1ccccc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
COC(=O)[C@H](N[C@H](C)c1ccc(-c2cncnc2)cc1)c1ccc(F)cc1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cn1c(=O)c2c3c(cnc2n(C)c1=O)C(=O)CC(C)(C)C3
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(c(C)cc1C)NC(=O)COC([C@@H]1Cc2c(C(F)(F)F)n[nH]c2CC1)=O
### Response:
Cc1ccc(NC(=O)COC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)c(C)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C([C@@H]1C[C@H](Sc2ccc(F)cc2)C[NH+]1Cc1ccccc1O)N1CCOCC1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc(C)o1
Fragment 2: [5*]Nc1nc2ccc(C)cc2s1
### Response:
Cc1ccc2nc(NC(=O)c3ccc(C)o3)sc2c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc(CC(=O)N2CCCC[C@H]2C[C@@H](C)O)c1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]1CCC[NH+]([C@@H](C)CNC(=O)C(=O)Nc2ccc3[nH]ncc3c2)C1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(Nc1ccccc1OC)C(=O)Nc1ccc(cc1)C(=O)N(C)C
### Response:
COc1ccccc1NCC(=O)Nc1ccc(C(=O)N(C)C)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc2ccccc2c1
Fragment 2: [5*]N[C@@H](C(=O)[O-])[C@H](C)CC
### Response:
CC[C@@H](C)[C@@H](NC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O)C(=O)[O-] |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
COc1ccc(cc1F)C[NH+]1CCC(NCc2cc(F)c(cc2)F)CC1
### Response:
COc1ccc(C[NH+]2CCC(NCc3ccc(F)c(F)c3)CC2)cc1F |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C(=O)N1CCN(CC1)CC(N1C[C@H](C[C@@H](C)C1)C)=O)Cc1c(Br)cccc1
### Response:
C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)CCc3ccccc3Br)CC2)C1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC1=[N+]2C(=N)/C(=C\c3cc(C)n(Cc4ccccc4)c3C)C(=O)N=C2SC1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cccc1C)NC(=O)C1CCN(CC1)C(=O)c1c(nc(nc1)-c1ccncc1)[O-]
### Response:
Cc1cccc(NC(=O)C2CCN(C(=O)c3cnc(-c4ccncc4)nc3[O-])CC2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1CN(S(=O)(=O)N2CCC(OCc3ccc(F)cc3)CC2)[C@H](C)CO1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
CC(C)[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccccn1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CN1CCOCC1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(ccc(CCNC(=O)CSc2c(C)nc3ccccc3n2)c1)F
### Response:
Cc1nc2ccccc2nc1SCC(=O)NCCc1ccc(F)cc1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CC[8*]
Fragment 2: [5*]N1CCC[C@@H]([15*])C1
### Response:
Cc1noc(C)c1CCC(=O)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C/C(=C\CNc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O)CO
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOC(=O)N[C@H](C(=O)N1CCN([C@H](C#N)C(C)C)CC1)C(C)C
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)Nc1nc(CC(=O)Nc2ccc3c(c2)OCCO3)cs1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1n[nH]c([14*])n1
Fragment 2: [5*]Nc1ccccc1C
### Response:
Cc1ccccc1NC(=O)c1n[nH]c(C(C)C)n1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
COc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(OC)c2)c(OC)c1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cn1ncc2c1CCC[C@H]2[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(N2CCN(C(=O)CCc3ccccc3O)CC2)cc1F
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@H]([8*])CC(F)(F)F
Fragment 2: [5*]N[C@H]([8*])CC(F)(F)F
### Response:
C[C@@H]1C[C@H](NC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)C[NH+]1C1CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(Br)cc1S(=O)(=O)[N-]c1c(C)cccc1C(N)=O
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH2+][C@@H]1[C@@H](CN2CCN(S(C)(=O)=O)CC2)CCCC1(C)C
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
Cc1ccc(C)c(-c2nn([C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)c(=O)c3ccccc23)c1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1nn(C)cc1C[NH2+]C/C(C)=C/c1ccc(OC)cc1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H]1C[C@H]1C(=O)N1CC[NH+](CCCc2nc3ccccc3o2)CC1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(NC([C@@H](C(C)C)Sc2ncc(C)cc2)=O)ccc1NC(=O)C
### Response:
CC(=O)Nc1ccc(NC(=O)[C@H](Sc2ccc(C)cn2)C(C)C)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C(c2nc(-c3ccc(OCc4cc(F)cc(c4)F)c(c3)OC)no2)CCC1
### Response:
COc1cc(-c2noc(C3CCCC3)n2)ccc1OCc1cc(F)cc(F)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(nc(c(C)s1)C)CNC(=O)C[C@H](C)c1cccc(F)c1
### Response:
Cc1nc(CNC(=O)C[C@H](C)c2cccc(F)c2)sc1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O1c2ccc(C(=O)COC(c3nn(-c4ccccc4)c(-c4ccccc4)n3)=O)cc2OC1
### Response:
O=C(COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccc2c(c1)OCO2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C#CCOc1ccccc1/C=N/NC(=O)[C@@H](OC)c1ccccc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccncc1)C1CC1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12CCC[C@@H]3c1c([C@H](C3)NC(=O)c1ccccn1)ccc2
### Response:
O=C(N[C@H]1C[C@@H]2CCCc3cccc1c32)c1ccccn1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C([C@@H]1CCC(=O)O1)Nc1ccc2c(c1)CCCO2
### Response:
O=C1CC[C@@H](C(=O)Nc2ccc3c(c2)CCCO3)O1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cn1ncc(c1)C[C@@H]1CCN(C(=O)C2(c3cc(ccc3)F)CCC2)C1
### Response:
Cn1cc(C[C@@H]2CCN(C(=O)C3(c4cccc(F)c4)CCC3)C2)cn1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [10*]N1C(=O)c2ccccc2C1=O
Fragment 2: [1*]C(=O)[C@H]([8*])C(C)C
### Response:
CC(C)[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccccc1[C@@H](C(=O)N1CCOCC1)CNC(N(C1CC1)CC(C)C)=O
### Response:
CC(C)CN(C(=O)NC[C@H](C(=O)N1CCOCC1)c1ccccc1)C1CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12c(O)nc(nc1n(Cc1ccc(C(C)(C)C)cc1)nn2)[C@@H]1CN(CCC1)C(=O)CCC
### Response:
CCCC(=O)N1CCC[C@H](c2nc(O)c3nnn(Cc4ccc(C(C)(C)C)cc4)c3n2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=S(NC)(CC(=O)NC[C@H](C)c1c(Cl)cccc1Cl)=O
### Response:
CNS(=O)(=O)CC(=O)NC[C@H](C)c1c(Cl)cccc1Cl |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(Cc2ccccc2)CC1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC12CC3CC(CC(C3)C1)C2
Fragment 2: [5*]NCC12CC3CC(CC(C3)C1)C2
### Response:
CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NCC23CC4CC(CC(C4)C2)C3)O1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(CC)c(C)s1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amine group?
Nc1ccc(CC(=O)[O-])cc1I
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a ester group?
CC(C)OCC(=O)CSC1CCCC1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]O[C@@H]1CC[C@]([4*])(CO)C1
Fragment 2: [4*]CCC
### Response:
CCC[NH2+][C@]1(CO)CC[C@@H](OCC2CCOCC2)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)Oc1ccc(C(=O)OCc2nc(C3CC3)cs2)cn1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
Cc1cccc(C(C)(C)CNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
C/C(=N\NC(=O)CNC(=O)c1cccs1)c1ccco1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
O=C(N1CCC(C(=O)[O-])(n2cc[nH+]c2)CC1)C1(c2ccccc2)CC1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(/C=C/c1ccsc1)NCc1coc(-c2cccs2)n1
### Response:
Yes |
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