task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(-n2nnc(C(=O)N(C)Cc3cnn(C)c3)c2C)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
C[C@@H](C#N)CN(C)C(=O)C1[C@H]2CCC[C@@H]12
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N(C)C
Fragment 2: [1*]C(=O)c1cc(S([12*])(=O)=O)ccc1Cl
### Response:
Cc1ccc(C)c2sc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)nc12 |
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*]NCc1cn([9*])nn1
### Response:
O=C(NCc1cn(-c2ccccc2)nn1)c1cc(F)cc(F)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC([6*])=O
Fragment 2: [9*]n1c(N)c([16*])c(=O)[nH]c1=O
### Response:
Nc1c(C(=O)CN2CC=C(c3ccc(O)cc3)CC2)c(=O)[nH]c(=O)n1C1CC1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CO[C@@H](CNC(=O)CCC1CCN(C(C)=O)CC1)c1ccc(F)cc1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC(C)c1nc(C(=O)Nc2cccc(Cl)c2Cl)n[nH]1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amine group?
Cc1ccc(C(=O)NC2CCN(C(=O)NCC[NH+]3CCCCC3)CC2)s1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
O=S(=O)(Nc1ccccc1Cn1cncn1)c1ccc2ccccc2c1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COc1ccc([C@H](C[NH2+]C2CCC(C)CC2)N2CCOCC2)cc1OC
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
Oc1ccc(-c2ccccc2)cc1C[NH+]1CCC[C@H](c2cn[nH]c2)C1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC(=O)Nc1c(N)cc2c3c(cccc13)C(=O)c1ccccc1-2
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)Nc3ccc(Br)cn3)c2n1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@H]1CCC[NH+]([5*])C1
Fragment 2: [5*]N([5*])C(C)C
### Response:
CC(C)N(C(=O)[C@H](C)[NH+]1CCC[C@H](C(=O)Nc2ccccc2)C1)C(C)C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCC(N)=O
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
C[NH+](C)Cc1nc(-c2c(Cl)cccc2Cl)no1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
NC(=O)CN(Cc1ccccc1N)C(=O)N[C@H]1CCOC1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cc2ccccc2c(=O)n1N
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH+]1CCC(NCc2ccc(Br)cc2)CC1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1ccc(CC)o1
Fragment 2: [5*]Nc1cccc(F)c1C
### Response:
CCc1ccc([C@@H](COC)NC(=O)C(=O)Nc2cccc(F)c2C)o1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1cccc(CN2CCN(CC(=O)NCCN3CCOCC3)C2=O)c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc([C@@H](C[NH3+])NC[C@@]2(C)CCCO2)c(C)s1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(cc(c1Cl)C(=O)NC1CCCCC1)NC(Cc1ccc(cc1)OC)=O
### Response:
COc1ccc(CC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cccn(C)c1=O
Fragment 2: [3*]OCC
### Response:
CCOc1ccc(C(=O)Nc2cccn(C)c2=O)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(F)c(-n2ncnc2)ccc1/C=C1\CCc2n(ncc2C1=O)C
### Response:
Cn1ncc2c1CC/C(=C\c1ccc(-n3cncn3)c(F)c1)C2=O |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(C(=O)C2=C([O-])C(=O)N(C)[C@@H]2c2ccc(I)cc2)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
O=C(Cn1c(-c2cscn2)nc2ccccc21)NC[C@@H]1CCCO1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CC(=O)CCCOC(=O)c1c(C)nn(-c2ccc(F)cc2F)c1C
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1nc2ccc([16*])cc2n2cnnc12
Fragment 2: [5*]Nc1ccccc1
### Response:
O=C(c1ccccc1)c1ccc2nc(Nc3ccccc3)c3nncn3c2c1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
C[C@H]1CC(NC(=O)Cc2ccccc2O)C[C@H](C)O1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(COc1cccc(-c2nnco2)c1)NC1CC1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH+](C)CCNC(=O)C[C@H]1C[NH2+]CCO1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@@]([8*])(C)C(=O)OC
Fragment 2: [15*]C1(C)CC1
### Response:
COC(=O)[C@](C)(Nc1ccc(F)cc1)C1(C)CC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)c1c(ncn3nc(-c4cccs4)nc13)O2
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [6*]C(=O)C1([15*])CCC1
Fragment 2: [16*]c1cc(Br)ccc1F
### Response:
O=C(c1cc(Br)ccc1F)C1(c2ccccc2)CCC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N[C@@H]1c2cccc3CCC[C@H](C1)c32)(=O)Cc1c(noc1C)C
### Response:
Cc1noc(C)c1CC(=O)N[C@H]1C[C@H]2CCCc3cccc1c32 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN(C)C1=C(C(=O)Nc2ccccc2)CSc2ccccc21
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc2c(c1)C(=O)N([10*])C2=O
Fragment 2: [8*][C@@H](C)COC
### Response:
COC[C@H](C)N1C(=O)c2ccc(C(=O)Nc3cccc(C)c3)cc2C1=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COCc1ccccc1NC(=O)NC[C@@H](O)c1ccc2ccccc2c1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1cccc(OC)c1OC
Fragment 2: [4*]CCC
### Response:
CCCN1C[C@H]2CC[C@@H]1C[NH+](Cc1cccc(OC)c1OC)C2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(N1CCC[C@H](c2nnc3n2CCCCC3)C1)CCc1cccc(c1)OC
### Response:
COc1cccc(CCC(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1CN(CC(=O)Nc2nccs2)C[C@H](C)S1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C1CCCN1c1ccc(S(=O)(=O)NCC[C@H]2CCCO2)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCN([5*])CC1
Fragment 2: [1*]C(=O)C[8*]
### Response:
COc1cccc(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(c1ccc(Br)o1)N(CCO)Cc1ccccc1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1ccc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)cc1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N2CC[C@H](c3ccccc3OC)C2)C1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[NH+](CC(=O)N1C[C@@H]2CC[C@H](C1)[NH+](Cc1ccccc1)C2)Cc1ccccn1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12ccccc2nc(n1-c1ccccc1)CCC(=O)Nc1c(n(C)n(c1=O)-c1ccccc1)C
### Response:
Cc1c(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)c(=O)n(-c2ccccc2)n1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N(C(N[C@@H](c1ccc(s1)Cl)C)=O)Cc1cccs1)C
### Response:
CCN(Cc1cccs1)C(=O)N[C@H](C)c1ccc(Cl)s1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=Cc1cccc(S[C@H]2CCOC3(CCCCC3)C2)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCCC1
Fragment 2: [5*]Nc1ccccc1OC
### Response:
COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CCn1c(C[C@]2(O)CCC[NH2+]C2)nc2ccccc21
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1Cc2ccccc2C[C@H]1[13*]
Fragment 2: [5*]N(C)C
### Response:
CN(C)c1ccc(CNC(=O)CN2Cc3ccccc3C[C@H]2C(N)=O)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCCC[8*]
Fragment 2: [1*]C(=O)NN[C@]1(C)CCS(=O)(=O)C1
### Response:
CN(C)c1ccc(CCCNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H](C)O[3*]
Fragment 2: [3*]OCC
### Response:
CCOc1ccc(O[C@H](C)C(=O)Nc2ccc(C)cc2Br)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)c1ccc(C)c(NC(=O)N2CCC[C@H]2c2cccc(OC)c2)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1cncn1
Fragment 2: [1*]C(=O)CC[8*]
### Response:
O=C(CCn1cncn1)N1CCCCc2cc(Br)ccc21 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCC([15*])CC1
Fragment 2: [5*][NH2+]C1CCN([5*])CC1
### Response:
Cc1cccc(N2CCC([NH2+][C@@H]3CC[C@@H]3NC(=O)CN3CCOC3=O)CC2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cccs1
Fragment 2: [1*]C(=O)CN[5*]
### Response:
O=C(CNC(=O)c1cccs1)NC[C@@H](O)c1c(F)cccc1F |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(cc(NC(=O)COc2c(cc(Cl)cc2)Cl)n(-c2nc3c(cnn3C)c(n2)[O-])n1)C
### Response:
Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(-c2nc([O-])c3cnn(C)c3n2)n1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CCOc1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)cc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nn(C)c2ncc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cc12
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C([O-])Cc1sc(N2N=C(c3cccs3)C[C@@H]2c2ccco2)nc1-c1ccccc1
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(NC(=O)c2cc(-c3cccs3)[nH]n2)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CCCc1cc(C(=O)NCCCN2CCCCCC2=O)sc1C
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@@H]([C@@H](CN(C1)CC(N[C@@H]1[C@@H]([C@H](C)CCC1)C)=O)C)[NH3+]
### Response:
C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)CN1CC[C@H]([NH3+])[C@H](C)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Nc1cccc2c1C(=O)NC2)c1ncn(-c2ccccc2)n1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(NCc1cc2ccccc2o1)Nc1cccnc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(-n3cccc3)c2)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CN(Cc2c1ncc(c2)NC(/C(C)=C\C)=O)C(=O)OC(C)(C)C
### Response:
C/C=C(/C)C(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN1CCc2c1nc1ccccc1c2NC(=O)/C=C/c1ccccc1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(CCN(C)CC[NH+]2CCCC2)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [12*]S(=O)(=O)c1c[nH]nc1N
Fragment 2: [5*]N1C[C@H]([15*])[C@@H](C)C1
### Response:
COC(=O)[C@H]1CN(S(=O)(=O)c2c[nH]nc2N)C[C@@H]1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N[C@H](C)c1cccc(Br)c1)([C@@H](C)CCC)=O
### Response:
CCC[C@H](C)C(=O)N[C@H](C)c1cccc(Br)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CON(C)C(=O)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCSCC4)[C@H]3C=C12
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H]([4*])C(C)C
Fragment 2: [1*]C(N)=O
### Response:
CC(C)[C@H](S[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1)C(=O)NC(N)=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCn1c(SCC(=O)c2c(C)[nH]c3ccccc23)nc2sc(C)c(C)c2c1=O
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H](NC(=O)OCc1ccccc1)C(O)(O)C(=O)CCl
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O[C@H]([C@@H](C)c1ccccc1)[C@H](C)C[NH3+]
### Response:
C[C@H](C[NH3+])[C@H](O)[C@@H](C)c1ccccc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nc([C@@H](NC(=O)c2ccc(=O)n(C)n2)c2ccccc2F)no1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCS[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(N(C)CC)c2)C1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc(cc1NC(COc1ccc(cc1)OC)=O)N1Cc2n(c3c(n2)cccc3)CCC1
### Response:
COc1ccc(OCC(=O)Nc2cccc(N3CCCn4c(nc5ccccc54)C3)c2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12c(C)cccc1[nH]cc2CCNC(=O)N1C[C@](O)(C(F)(F)F)CC1
### Response:
Cc1cccc2[nH]cc(CCNC(=O)N3CC[C@@](O)(C(F)(F)F)C3)c12 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc4ccccc4c3)ccc12
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
CC(=O)N1CC[C@@H](C[NH+](C)Cc2nc3c([O-])n(C)c(=O)n(C)c-3n2)C1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(C(=O)CCC(=O)Nc2cc(F)ccc2Cl)s1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc2ncn(-c3ccc(N)c(N)n3)c2cc1C
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
C=CC/N=C(\O)COC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCOCC1
Fragment 2: [1*]C(=O)C([7*])N[5*]
### Response:
O=C(N/C(=C/c1ccc(Br)cc1)C(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12sc(C(=O)N(Cc3c(cccc3)F)C)c(C)c1c(nc(n2)CC)C
### Response:
CCc1nc(C)c2c(C)c(C(=O)N(C)Cc3ccccc3F)sc2n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cnc2nc(CO)nn2c1C
Fragment 2: [6*]C(=O)[O-]
### Response:
Cc1c(C(=O)[O-])cnc2nc(CO)nn12 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOC(=O)CCN1C(=O)NC2(CCCC2)C1=O
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH2+]Cc1cccn1C
Fragment 2: [14*]c1ccco1
### Response:
CN(C)[C@H](C[NH2+]Cc1cccn1C)c1ccco1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
C=CCNC(=O)COc1ccc(CO)cc1Cl
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCC([15*])CC1
Fragment 2: [1*]C(=O)CC[4*]
### Response:
O=C(CCSc1ccccn1)N1CCC(Oc2ccc(F)cc2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CC[C@@H]([15*])C1
Fragment 2: [5*]Nc1ccc2c(c1)COC2
### Response:
COc1ccc([C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)COC4)C2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CC(C)[C@@H](NC(=O)Nc1ccc2oc(=O)ccc2c1)c1ccccn1
### Response:
No |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.