task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CN(CC[C@H]1CCCCO1)C(=O)[C@H]1C=C(Cn2ccc3ccccc32)N=N1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(Cl)c(ccc1Cl)[C@H]1[C@H]2CC=C[C@@H]2c2cc(ccc2N1)S(=O)(=O)NC[C@H]1CCCO1
### Response:
O=S(=O)(NC[C@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(c1cccc(OC(C)C)c1)NC(=S)Nc1cccc2c1C(N(c1ccccc1)C2=O)=O
### Response:
CC(C)Oc1cccc(C(=O)NC(=S)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)c1 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
Cc1cc(C)n2nc(C)c(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c2n1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COCCOc1ccc(NC(=O)c2nc(C)n[nH]2)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)C1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(Br)cc1OC
Fragment 2: [8*][C@H]([NH3+])C(=O)[O-]
### Response:
COc1cc(Br)ccc1[C@H]([NH3+])C(=O)[O-] |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1cccc(C)c1NC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[nH]1c2ccc(C(NC[C@H](N3CCOCC3)C(CC)CC)=O)cc2nc1
### Response:
CCC(CC)[C@H](CNC(=O)c1ccc2[nH]cnc2c1)N1CCOCC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCCCC#N
Fragment 2: [3*]Oc1cccc(N[5*])c1
### Response:
Cn1cc(C(=O)Nc2cccc(OCCCC#N)c2)c(-c2ccccc2)n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C)c(sc(c1C)NC(=O)C[NH+]1CCC[C@H]1CN1CCOCC1)C
### Response:
Cc1sc(NC(=O)C[NH+]2CCC[C@H]2CN2CCOCC2)c(C)c1C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)C[C@@H]1CCCN1C(=O)c1ccc2c(c1)COC2
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1oc(nc1-c1cscc1)C[NH+]1CCN(CC1)C(=O)c1ccc(OCc2c(C)noc2C)cc1
### Response:
Cc1noc(C)c1COc1ccc(C(=O)N2CC[NH+](Cc3nc(-c4ccsc4)no3)CC2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
c1ccc([C@H]2CN/C(=[NH+]\[C@@H]3C[NH+]4CCC3CC4)S2)cc1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nc(C(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(SCc1nc(CC)on1)c1nsc(n1)N(C)C
### Response:
CCc1nc(CSCc2nsc(N(C)C)n2)no1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(C(CCCOC)(CO)CO)ccc1C
### Response:
COCCCC(CO)(CO)c1ccc(C)cc1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CCc1cccc(C)c1NC(=O)CN1C(=O)C(C)=C(c2ccc(F)cc2)S1(=O)=O
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCc1ccccc1C
Fragment 2: [1*]C(=O)c1cnn2cc(Br)cnc12
### Response:
Cc1ccccc1CNC(=O)c1cnn2cc(Br)cnc12 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C([O-])c1cc(F)cc(-c2cc3ccccc3s2)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc2OCC(=Cc2cc1)C(Nc1cc(ccc1OC)C)=O
### Response:
COc1ccc(C)cc1NC(=O)C1=Cc2ccccc2OC1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
C[C@H]1CCC[C@@H](N(C)C(=O)c2ccccc2OC[C@@H]2CCCO2)C1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCc1nnc(NC(=O)c2cccc(C)c2C)s1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cn1cc[nH+]c1N1CCN(CC(=O)NC2CCCCC2)CC1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC(C)C[4*]
Fragment 2: [1*]C(=O)N([5*])C
### Response:
CCN1CC[NH+](C[C@H](C)CNC(=O)N(C)C[C@@H](C)O)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](S[C@H]1N=C(Cl)N=C2N=CN=C21)C(=O)[O-]
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(c(cc2c(C(=O)N(CC(=O)NCc3ccccc3)C2=O)c1)Cl)Cl
### Response:
O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NCc1ccccc1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CC1=C(C)C[C@@H](C(=O)N[C@@H](C)CCc2ccccc2)[C@H](C(=O)[O-])C1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(NCCc1cnn(-c2ccccc2)c1)c1ccc(F)cc1F
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CC[8*]
Fragment 2: [4*][C@H]([8*])CN[5*]
### Response:
Cc1cc2nc(C)c(CCC(=O)NC[C@@H](c3ccccc3)N3CCOCC3)c(C)n2n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
OC1(CCCC1)CC(=O)N(CCCc1ccccc1)C
### Response:
CN(CCCc1ccccc1)C(=O)CC1(O)CCCC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(N1CCN(CC1)C([C@H]1[C@@H](C)C1)=O)N[C@H](C(C)(C)C[NH+](C)C)C
### Response:
C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1)C(C)(C)C[NH+](C)C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(NC(NCCC(=O)N2CCCC2)=O)ccc(c1Cl)C(=O)N
### Response:
NC(=O)c1ccc(NC(=O)NCCC(=O)N2CCCC2)cc1Cl |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H](CNC(=O)N1CCC(CO)CC1)Oc1cccc(C(F)(F)F)c1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*][C@@H](C[NH3+])S[11*]
Fragment 2: [4*][C@H](C)CCO
### Response:
Cc1cccc([C@@H](C[NH3+])S[C@H](C)CCO)c1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
Cc1ccc2[nH]c(SCC(=O)c3ccc(O)c(O)c3)nc2c1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[C@H]1CCC[C@@H](CNc2ccc(C(=O)NCCCO)cc2)C1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CN1[C@H]([C@H]([NH3+])Cc2n(CC)ncn2)C[NH+](C)CC1
### Response:
CCn1ncnc1C[C@@H]([NH3+])[C@@H]1C[NH+](C)CCN1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccc(CO)o1
Fragment 2: [5*][NH+]1CCCC[C@H]1C
### Response:
C[C@@H]1CCCC[NH+]1CCC1CC[NH+](Cc2ccc(CO)o2)CC1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(C(F)(F)F)nc4ccccc43)CC2)cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N1[C@](O)(C(F)(F)F)CC(=N1)C)(c1ccc(Cn2c(c(Br)c(C)n2)C)cc1)=O
### Response:
CC1=NN(C(=O)c2ccc(Cn3nc(C)c(Br)c3C)cc2)[C@](O)(C(F)(F)F)C1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
O=C(NCc1cccc([N+](=O)[O-])c1)N1CCCCCC1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc(N([5*])C)c(F)c1
Fragment 2: [5*]NCc1cn2ccsc2n1
### Response:
CC(C)N(C)c1ccc(NC(=O)NCc2cn3ccsc3n2)cc1F |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C1CSC2=NC3=C(CCCC3=C3SCCS3)[C@H](c3ccccc3)N12
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c([C@@H]([NH3+])[C@H]2CSCCS2)cc(C)c(F)c1
### Response:
Cc1cc([C@@H]([NH3+])[C@H]2CSCCS2)ccc1F |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1oc2ccccc2c1CO[3*]
Fragment 2: [4*]C[C@H]1CCCO1
### Response:
O=C(c1oc2ccccc2c1COc1ccccc1)N1CC[NH+](C[C@H]2CCCO2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc(NC(=O)CN(C)C(=O)COc2ccc(C#N)cc2)c1C
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [13*][C@@H]1C=C(c2ccccc2)N=N1
Fragment 2: [6*]C(=O)N/N=C/c1cc(Br)cc(Br)c1OC
### Response:
COc1c(Br)cc(Br)cc1/C=N/NC(=O)[C@@H]1C=C(c2ccccc2)N=N1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)NC1CCCCC1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCN([5*])CC1
Fragment 2: [1*]C(=O)CC[8*]
### Response:
O=C(CCC1CCOCC1)N1CCN(c2ncccc2F)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC1([C@@](C[C@H]1NC(C(Nc1cc(F)ccc1OC)=O)=O)(C)OC)C
### Response:
COc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1C[C@](C)(OC)C1(C)C |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1nn2c(nnc3c(=O)n(CCCN4CCOCC4)ccc32)c1-c1ccc(Cl)cc1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(OC)cc2OC[C@H](Cc2cc1)[NH2+][C@@H](CC(=O)Nc1ccc(OC)cc1)C
### Response:
COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2COc3cc(OC)ccc3C2)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCCOc1ncccc1CNC(=O)Cc1cccc(F)c1F
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C2(CCC2)[C@H]1C(=O)N1Cc2n(CCC1)nc(-c1[nH]c3cc(F)ccc3n1)c2
### Response:
O=C([C@H]1CC12CCC2)N1CCCn2nc(-c3nc4ccc(F)cc4[nH]3)cc2C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(C(C)=O)c1nc(CN2C[C@@H](C)O[C@H](c3ccccc3)C2)cs1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H](O)[C@H](C)SCC(=O)Nc1ccc(Cl)cn1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
NNc1ccc(F)c(C(F)(F)F)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCCOC
Fragment 2: [5*]Nc1nc(=S)[nH]c2ccccc12
### Response:
COCCCNc1nc(=S)[nH]c2ccccc12 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1OCC(C)C)C(NCC[NH+]1CCCCC1)=O
### Response:
CC(C)COc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C=CCc1ccccc1OCc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C[C@@H](C)O
Fragment 2: [10*]N1CC(=O)N2CCC[C@@H]2C1=O
### Response:
C[C@@H](O)CN1CC(=O)N2CCC[C@@H]2C1=O |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
COc1ccc([N+](=O)[O-])cc1CN1CCC[NH+](CC(=O)N2CCCC2)CC1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NCc1ccc(-n2cncn2)nc1)N1CCC[C@@H]1c1ccccc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC/C(C[NH2+]CCC)=C/c1oc(cc1)-c1c(F)cccc1
### Response:
CCC[NH2+]C/C(=C\c1ccc(-c2ccccc2F)o1)CC |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(c(Cl)ncc1)C(N[C@H](C(=O)N)C(C)(C)C)=O
### Response:
CC(C)(C)[C@H](NC(=O)c1cccnc1Cl)C(N)=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CN([C@@H](C)CC1)C(=O)c1cc(nc2c1cnn2CC)-c1ccccc1
### Response:
CCn1ncc2c(C(=O)N3CCCC[C@@H]3C)cc(-c3ccccc3)nc21 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COC[C@](C)(NC(=O)NCc1cc(=O)[nH]c2ccccc12)c1ccccc1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CCn1c(SCc2ccccc2C)nc2ccccc2c1=O
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=S(=O)(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccc(F)cc1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(C(c2cnc3n(cc(C)s3)c2=O)=O)[C@@H](C)CC[C@H](C)C1
### Response:
Cc1cn2c(=O)c(C(=O)N3C[C@@H](C)CC[C@@H]3C)cnc2s1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COCCN1C[C@H](C(=O)NCc2ccccn2)CC1=O
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a ether group?
C[C@H](CS(C)(=O)=O)NC(=O)C1(c2ccc(F)cc2F)CCOCC1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc2nc(C(F)(F)F)n(CCNC(=O)c3ccc(c(c3)C)C)c2nc1
### Response:
Cc1ccc(C(=O)NCCn2c(C(F)(F)F)nc3cccnc32)cc1C |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccccc1[C@@H]1CCCN1C(=O)c1cnn2ccn(C)c12
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCCc1c([O-])[nH]c([C@H]2CN(CC)CCO2)nc1=O
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
N#CCN(C(=O)CSCc1ccc(C#N)cc1)C1CCCC1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(OC)ccc(cc1)S(=O)(=O)CC(Nc1sc2cc(OCC)ccc2n1)=O
### Response:
CCOc1ccc2nc(NC(=O)CS(=O)(=O)c3ccc(OC)cc3)sc2c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NC(C)(C)C
Fragment 2: [4*]CC(=O)N[5*]
### Response:
CC(C)(C)NC(=O)NC(=O)CSc1nc(-c2ccncc2)n[nH]1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(NC([C@@H](C)[n+]2ccc(C(C)=O)cc2)=O)ccc(c(c1)Cl)Cl
### Response:
CC(=O)c1cc[n+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1
Fragment 2: [1*]C(=O)[C@@H](N[5*])C(C)C
### Response:
CC(C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
O=C(CC[S@@](=O)c1ccccc1)NC(=O)NCC(F)(F)F
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC(=O)N[C@H]1C(=O)N=C(SCC(=O)Nc2cccc3ccccc23)NC1=O
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)ccc1OCC(=O)[O-]
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(Nc1n(nc(c1)-c1cccs1)-c1nc(c(C)c([nH]1)=O)C)COCC
### Response:
CCOCC(=O)Nc1cc(-c2cccs2)nn1-c1nc(C)c(C)c(=O)[nH]1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+](C)C
Fragment 2: [4*]C[C@@H]([8*])NC
### Response:
CN[C@@H](C[NH+](C)C)c1ccc(C)nc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1Cc2ccccc2C(=O)O1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COc1ccc(OCCNC(=O)c2ccc(N3CCOCC3)cc2)cc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C#CCn1/c(=N/C(=O)[C@@H]2CCCCN2S(C)(=O)=O)sc2cc(Cl)ccc21
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H](NC(=O)Nc1ccccc1CN1CCc2ccccc21)[C@@H]1CCCO1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(NC(=S)Nc1ccccn1)c1cc2ccccc2o1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC=C
Fragment 2: [5*][NH2+]CC=C
### Response:
C=CC[NH2+]CC(=O)N[C@H](C)c1c(C)noc1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1C[C@@H]([13*])[NH2+]CC1(C)C
Fragment 2: [8*]C(C)C
### Response:
CC(C)[C@@H]1CN(Cc2ccc(O)cc2)C(C)(C)C[NH2+]1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC1CC(NC(=O)C2(c3ccc(F)cc3F)CCCC2)C1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1ccco1
Fragment 2: [4*]Cc1cc(OC)c2c(c1)OCCO2
### Response:
COc1cc(C[NH2+]C[C@@H](c2ccco2)N(C)C)cc2c1OCCO2 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
CC(C)[C@](C)(O)CNC(=O)N[C@@H](C)CS(C)(=O)=O
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
C[NH+](C)[C@H]1CC[C@H](NC(=O)NNC(=O)Cc2ccc3ccccc3c2)C1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
CN(CCOCC1CC1)c1ccc2nnc(C(F)(F)F)n2n1
### Response:
No |
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