task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H]1CC[C@@](C[NH3+])([C@H](O)c2ccccc2)C1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1([C@H]([NH2+]CCc2[nH+]c3n(c2)cccc3)C)cnn(c1C)-c1ncccc1
### Response:
Cc1c([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cnn1-c1ccccn1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1cccc([N+](=O)[O-])c1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N[C@H]1CCC[NH+](C)C1)(N(C)[C@H](C)CSC)=O
### Response:
CSC[C@@H](C)N(C)C(=O)N[C@H]1CCC[NH+](C)C1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
CCC(CC)([C@H](Cc1nc(C)cs1)NC)[NH+]1CCCC1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CC[C@@H](C)NC(=O)c1ccnc(OC(C)(C)C)c1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cnc(c1)[C@@H](N[C@@H](c1n(C)cc[nH+]1)c1cc(OC)cc(c1)OC)C)F
### Response:
COc1cc(OC)cc([C@@H](N[C@@H](C)c2ccc(F)cn2)c2[nH+]ccn2C)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1cc(ccc1)NC([C@@H]1OCCC1)=O
### Response:
O=C(Nc1cccnc1)[C@H]1CCCO1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)[C@H]1[NH+]=c2ccc(Br)cc2=C1NC(=O)CN1C[C@@H](C)O[C@H](C)C1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CCC(=O)N1CCC([NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)CC1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O1CCC[C@]1(c1noc(n1)[C@H]1CCCCC1=O)C
### Response:
C[C@@]1(c2noc([C@H]3CCCCC3=O)n2)CCCO1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccccc1OCCC(=O)N[C@@H](c1nc(C)cs1)C
### Response:
Cc1csc([C@@H](C)NC(=O)CCOc2ccccc2)n1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
CCOC(=O)CN(CC1CC1)C(=O)[C@@H]1SCCc2sccc21
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
C[NH2+][C@H](c1ccc2c(c1)OC[C@H](C)CO2)[C@@H]1CCO[C@@H]1C
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amine group?
Cc1cccc(-c2ccnc(N)n2)c1C
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1)C1CCCCC1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
Cc1ccccc1OCc1nc2c3cnn(-c4c(F)c(F)cc(F)c4F)c3ncn2n1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1nn(CCNS(=O)(=O)NCc2ccccc2)c(C)c1Cl
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(cc(c1C)S(=O)(C)=O)NC(=O)N[C@H]1[C@@H](C1)c1ccccc1
### Response:
Cc1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1S(C)(=O)=O |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=c1c2c3c(sc2n2c([S-])nnc2n1-c1ccccc1)CCCC3
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(CSc1nccn1C1CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1noc(C)c1CN(C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CC(C)CC(=O)N1CCN(C(=O)c2cnc3c(c2)NC(=O)CO3)CC1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc2c(c1)[C@H](O)[C@H](C)[C@@H]2C
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [10*]N1CCN([10*])C1=O
Fragment 2: [1*]C(C)=O
### Response:
CC(=O)N1CCN(C(=O)CN2CCN(c3ccc(C(C)C)cc3)C2=O)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ncsc1C(=O)N[C@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccc(F)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC[NH+]1Cc1ccccc1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOCCN(C)C(=O)c1ncccc1OC(C)C
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CCN(C(=O)[C@H](C)c1ccsc1)c1ccc(Br)cn1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nn(C)c2c1[nH]c(=S)n2-c1cc(Cl)c(Cl)cc1Cl
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
CSc1ccc(C(=O)/C=C/c2ccsc2)cc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCc1nnsc1Cl
Fragment 2: [4*][C@H]([8*])c1ccccc1
### Response:
Fc1cccc([C@@H](NCc2nnsc2Cl)c2ccccc2)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(Nc1ccccc1NCC(F)(F)F)c1[nH]nc(C2CC2)c1Cl
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@H](OCC(C)C)C[C@@](NC)(C(OCC)=O)C1
### Response:
CCOC(=O)[C@@]1(NC)CC[C@H](OCC(C)C)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CN(Cc2cscc2)[C@@H]([C@H](C)O1)C
### Response:
C[C@@H]1OCCN(Cc2ccsc2)[C@@H]1C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)c1ccc2c(=O)n(CCCN3CCCC3=O)c([S-])nc2c1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN1C(=O)Cc2cc(S(=O)(=O)Nc3ccc(Br)cc3Cl)ccc21
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C)(CNC(c1cc(S(N2CCOCC2)(=O)=O)c(C)cc1)=O)(C)C
### Response:
Cc1ccc(C(=O)NCC(C)(C)C)cc1S(=O)(=O)N1CCOCC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(N/N=C\c1ccc(F)cc1)C1=CC=CC2=CC=N[C@H]21
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
[NH3+][C@@H](CC[C@@H]1CCCO1)c1ccc(Cl)c2ccccc12
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4ccnn4C(C)C)C3)c(-c3ccncc3)c2c1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H]1(CCCCC[C@@H]1CO)[NH2+][C@@H](C)c1ccc(cc1OC)OC
### Response:
COc1ccc([C@H](C)[NH2+][C@@H]2CCCCC[C@@H]2CO)c(OC)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)(C)C1=NN(CCOc2ccc(F)cc2)C(=O)C1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(NC(C2C(=NC3=C(C(=O)C[C@H](C)C3)[C@@H]2c2ccc(Cl)cc2)C)=O)ncc(c1)C
### Response:
CC1=NC2=C(C(=O)C[C@H](C)C2)[C@H](c2ccc(Cl)cc2)C1C(=O)Nc1ccc(C)cn1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
C/C(Cl)=C/Cn1c(SCc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1cccs1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCC
Fragment 2: [1*]C(=O)c1cn2cc([14*])n(C)c(=O)c2n1
### Response:
CCCN(C(=O)c1cn2cc(-c3ccc(OC)cc3)n(C)c(=O)c2n1)C1CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N(C(=O)CCC2CCCC2)CCC(C1)COc1ccccc1C(N1CCCC1)=O
### Response:
O=C(CCC1CCCC1)N1CCC(COc2ccccc2C(=O)N2CCCC2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H]1(NC(=O)c2cc(c(cc2)OC)OC)CCCC[C@H]1C(C)(C)C
### Response:
COc1ccc(C(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)cc1OC |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCCC[C@H]1CCC[C@H]1NC(=O)Nc1ccc(C(=O)NC)c(Cl)c1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a ester group?
CCOC(=O)[C@]1(N)CC[C@H]([NH+](C)[C@@H](C)C(C)C)C1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC[C@](C)(NC(=O)Nc1ccc(Cl)cc1)C(=O)[O-]
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1ncccc1C(=O)N1CCC[C@](CC)(C(=O)[O-])C1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOC(=O)C1CCN(C(=O)[C@H]2CCCN(c3cc(-n4nc(C)cc4C)ncn3)C2)CC1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[4*]
Fragment 2: [4*]Cc1cccc([N+](=O)[O-])c1
### Response:
CC[NH+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc([N+](=O)[O-])c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Nc1cnn(-c2ncccn2)c1)c1cccc(OCC(F)F)n1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CCC(C)C
Fragment 2: [15*][C@]1(C[NH3+])CCC(C)(C)[C@H]1O
### Response:
CC(C)CC[C@]1(C[NH3+])CCC(C)(C)[C@H]1O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1CC1
Fragment 2: [1*]C(C)=O
### Response:
CC(=O)NCc1ccc(-c2csc(C3CC3)n2)s1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccccc1
Fragment 2: [3*]Oc1ccc(/C=N/n2c(C)nnc2C)cc1
### Response:
Cc1nnc(C)n1/N=C/c1ccc(OCc2ccccc2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1noc(C)c1CCC(=O)Nc1ccnn1C1CCCCC1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cc(C#N)ccc1F
Fragment 2: [8*]CS([12*])(=O)=O
### Response:
Cn1cc(C(=O)C[C@H]2CCCN2S(=O)(=O)Cc2cc(C#N)ccc2F)cn1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(NC(=O)c1cccc(OC)n1)C[S@@](=O)C(C)(C)C
### Response:
COc1cccc(C(=O)NCC[S@@](=O)C(C)(C)C)n1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC(C)N1C[C@@H](C(=O)N2C[C@@H](O)[C@@H](O)C2)CC1=O
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
COc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)cc1F
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc2c(c1)N(C)C(=O)[C@](C)(C(=O)N1CCC(C)CC1)O2
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc(C)c2Cl)c1
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccccc1N1CCN(C(=O)Cc2c(C)nc(S[C@@H](C)c3ccccc3)[nH]c2=O)CC1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cc(C)c(C)cc1C
Fragment 2: [16*]c1ccc(OC)cc1
### Response:
COc1ccc(-n2nnnc2S[C@@H](C)C(=O)c2cc(C)c(C)cc2C)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccccc1CN1CCN(c2cc(ncn2)NC(c2c3c(cccc3)ccc2)=O)CC1
### Response:
O=C(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)c1cccc2ccccc12 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C([NH3+])[C@@H](c1cc(OC)ccc1)N1C[C@H]2CNC(=O)N2CC1
### Response:
COc1cccc([C@H](C[NH3+])N2CCN3C(=O)NC[C@@H]3C2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CS(=O)(CCC1N(C)C(=O)[C@H](C)OCCCC)=O
### Response:
CCCCO[C@@H](C)C(=O)N(C)C1CCS(=O)(=O)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1cnn(C)c1C
Fragment 2: [5*][NH+]1CCc2nc([14*])[nH]c(=O)c2C1
### Response:
Cc1c(C[NH+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cnn1C |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCO[C@@H]1C[C@@H]([O-])C12CCN(C(=O)c1cn(C)nc1-c1ccccc1)CC2
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Cc1ccc2c(c1)OCO2)Nc1nc(-c2ccc(Br)s2)cs1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
Cc1cccc(COc2cccc(N)c2C)n1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[NH+](CC)(CC)[C@@H](CNC(N1CCCN(CC1)C(=O)c1ccccc1F)=O)C
### Response:
CC[NH+](CC)[C@H](C)CNC(=O)N1CCCN(C(=O)c2ccccc2F)CC1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1ccc([C@@H]2CCCN2C(=O)CC[C@H]2NC(=O)N(C3CCCCC3)C2=O)cc1C
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(Cn1nc2c(cc1=O)CCCC2)N1CC[C@]2(O)CCCC[C@@H]2C1
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=c1c2cn[nH]c2nc(SCc2cn3ccccc3n2)n1-c1ccccc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccs1
Fragment 2: [5*]Nc1ccc2c(c1)OCO2
### Response:
O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)Nc1ccc2c(c1)OCO2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccc([N+](=O)[O-])cc1
Fragment 2: [3*]OCc1ccc([N+](=O)[O-])cc1
### Response:
CCN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C=CCn1cccc(C(=O)N(C)[C@@H](C)C2CC2)c1=O
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+]([5*])Cc1ccccc1
Fragment 2: [5*]Nc1nn(C)cc1C#N
### Response:
Cn1cc(C#N)c(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)n1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(-c2nnc3ccncn23)ccc1N
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cccc2c1c(C)c(c(o2)=O)C(=O)Nc1ncc(cc1)Br
### Response:
Cc1c(C(=O)Nc2ccc(Br)cn2)c(=O)oc2ccccc12 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cnn([9*])c1C
Fragment 2: [8*]C(C)C
### Response:
Cc1c(C(=O)OCc2nc3ccccc3o2)cnn1C(C)C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(c1ccc(o1)C[NH+]1[C@@H](CCC1)CC1CCCCC1)O
### Response:
OCc1ccc(C[NH+]2CCC[C@H]2CC2CCCCC2)o1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
Cc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)c3cc4ccccc4o3)CC2)c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CNS(=O)(=O)CCCSc1nc2cc(C)ccc2o1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccnc2c(NC(=O)CNC(=O)c3cccc(C)c3)cccc12
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCC(CC)(CO)CC1
Fragment 2: [8*]COC
### Response:
CCC1(CO)CCN(C(=O)Nc2cc(COC)ncn2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1N(C)C)NC(c1csc(n1)Nc1nc(cc(n1)C)C)=O
### Response:
Cc1cc(C)nc(Nc2nc(C(=O)Nc3ccc(N(C)C)cc3)cs2)n1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCOC(=O)C1=C(CN2CCN(c3cccc(C)c3C)CC2)NC(=O)N[C@H]1c1cccs1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c2c(-c3ccccc3C2COC(NC2(CCC(CC2)c2ccccc2)C([O-])=O)=O)ccc1
### Response:
O=C(NC1(C(=O)[O-])CCC(c2ccccc2)CC1)OCC1c2ccccc2-c2ccccc21 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CC(C)C[NH2+]CCn1ccc2c(Cl)cccc21
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
O=C(NN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C[C@H]1CCC[NH+]1[5*]
Fragment 2: [4*]Cc1ccccc1
### Response:
C[C@H](NC[C@H]1CCC[NH+]1Cc1ccccc1)c1nccs1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
N#Cc1c(-c2ccco2)nn(-c2ccccc2Br)c1N
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(c(cc(c1)C#N)CNC(C(Nc1c(C)c(ccc1)F)=O)=O)F
### Response:
Cc1c(F)cccc1NC(=O)C(=O)NCc1cc(C#N)ccc1F |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cc[nH+]cc1
Fragment 2: [5*]N1CCN([5*])CC1
### Response:
C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2cc[nH+]cc2)CC1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.