task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(F)c4)cc3n2)cc1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(CCn2ccc3c(cnc4c(-c5ccc(F)cc5)cnn43)c2=O)cc1OC
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C[C@H](NC(N2CCN(C(=O)c3ccccc3O)CC2)=O)c2ccccc21
### Response:
O=C(N[C@H]1CCc2ccccc21)N1CCN(C(=O)c2ccccc2O)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](NC(=S)NNC(=O)c1ccccc1Cl)c1ccccc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C(c1ccccc1)N1CCO[C@H](CC2CCCCC2)C1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(ccc(c1)N1CCN(CC1)C(=O)C[NH+]1CCC2(CC1)ON=C(N2)c1ncccc1)F
### Response:
O=C(C[NH+]1CCC2(CC1)NC(c1ccccn1)=NO2)N1CCN(c2ccc(F)cc2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCCCN1C(=O)CN1CCN(CC1)C(=O)CCc1[nH]c(c2c3CCCCc3sc2n1)=O
### Response:
O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)N1CCN(CC(=O)N2CCCCC2)CC1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
O=C(COc1ccccc1F)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc2nc(C(=O)O[C@@H](c3ccccn3)C(C)C)ccc2c1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(N2CCN(C(=O)NCc3nnc4n3CCCCC4)CC2)nc(C)[nH+]1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(C)c1nc(CNCc2cccc(Cl)c2Cl)cs1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1nn(cc1NC(C(N(Cc1sc(cc1)Cl)C)=O)=O)CCOC
### Response:
COCCn1cc(NC(=O)C(=O)N(C)Cc2ccc(Cl)s2)cn1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cc(C)n(-c2cc(N3CCC[C@@H](C(=O)N4CCCCCC4)C3)ncn2)n1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(cc(c(NS(=O)(=O)c2cc(Cl)ccc2)cc1)C)Cl
### Response:
Cc1cc(Cl)ccc1NS(=O)(=O)c1cccc(Cl)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CC(CO)(CO)CCC
Fragment 2: [16*]c1c(Cl)cccc1Cl
### Response:
CCCC(CO)(CO)Cc1c(Cl)cccc1Cl |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1nnc([14*])o1
Fragment 2: [14*]c1cc2ccccn2n1
### Response:
NC(=O)c1ccccc1OCc1nnc(-c2cc3ccccn3n2)o1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
[NH3+]C[C@H]1CCC[C@@H]1NC(=O)C[C@H]1CCCCO1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1ccco1
Fragment 2: [3*]OCC[8*]
### Response:
Cc1n[nH]c(C)c1CCOC(=O)c1csc(-c2ccco2)n1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
COc1ccnc2c(NC(=O)CNC(=O)c3cccc(C)c3)cccc12
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCn1cnnc1SCC(=O)c1ccc(OC)cc1OC
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc([16*])cc1
Fragment 2: [5*]Nc1ccccc1
### Response:
O=C(Nc1ccccc1)c1ccc(C(=O)c2ccccc2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N#Cc1ccccc1O[C@@H](C(NNc1cc(cc(Cl)n1)C#N)=O)C
### Response:
C[C@@H](Oc1ccccc1C#N)C(=O)NNc1cc(C#N)cc(Cl)n1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(C)C(=O)N1CCC(C(=O)N2CCC[NH+](C)CC2)CC1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=S(=O)(c1sc(=O)[nH]c1C)N[C@@H]1CCCCC[C@@H]1C([O-])=O
### Response:
Cc1[nH]c(=O)sc1S(=O)(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]O[C@@H]1CCCC[C@H]1[15*]
Fragment 2: [3*]OC1CCCC1
### Response:
O=S(=O)(N[C@@H]1CCCC[C@H]1OC1CCCC1)c1cccs1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1CC1
Fragment 2: [1*]C(=O)c1scnc1[14*]
### Response:
Cn1cc[nH+]c1CN1CCN(C(=O)c2scnc2C2CC2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1c(Cl)ccc2sc(NC(=O)/C=C/c3ccc([N+](=O)[O-])s3)nc12
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1nn(CN[C@H](c2cccs2)C(C)(C)C)c(=S)s1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
c1ccc(C[NH+]2CC[C@@H](NCCSc3cn[nH]n3)C2)cc1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C([C@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCC(O)(C(F)(F)F)CC1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c2CCCCc2c(NC(C(=O)NCCCOCC)=O)cc1
### Response:
CCOCCCNC(=O)C(=O)Nc1cccc2c1CCCC2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1n(CC(N[C@@H](C(OC)=O)c2ccc(cc2F)F)=O)c2ccccc2c1
### Response:
COC(=O)[C@H](NC(=O)Cn1ccc2ccccc21)c1ccc(F)cc1F |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCCCNC(=O)NNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Fc1cccc2c1SCC[C@H]2NCc1cc(Br)cs1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
Cc1ccc([C@H](O)CNC(=O)C(=O)Nc2ccon2)o1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cc([14*])n[nH]1
Fragment 2: [1*]C(=O)C([4*])(C)C
### Response:
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c2cccnc2c(CC(N([C@@H]2CS(CC2)(=O)=O)C2CC2)=O)cc1
### Response:
O=C(Cc1cccc2cccnc12)N(C1CC1)[C@H]1CCS(=O)(=O)C1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=[N+]([O-])/C=C/c1cccs1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1cc(C(=O)Oc2ccccc2OC)cc(Br)c1OC
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH2+][C@@H](c1cccc(OC)c1)C(OC)OC
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1c(C)c(Br)c(/C=N\NC(C)=O)c1C
Fragment 2: [16*]c1cccc(C)c1
### Response:
CC(=O)N/N=C\c1c(Br)c(C)n(-c2cccc(C)c2)c1C |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Nc1ccc(S(=O)(=O)NS(=O)(=O)c2ccccc2)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@](O)(CNc1cc(Br)cc(F)c1C(N)=O)c1ccccc1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1c(C)nn(C)c1OC
Fragment 2: [5*]Nc1ccc([16*])cc1
### Response:
COc1c(NC(=O)Nc2ccc(-c3nccs3)cc2)c(C)nn1C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc([C@H]2C[C@H](C)N(C(=O)C3(C#N)CCC3)C2)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(C(=O)c5ccco5)CC4)[C@H]3[C@H](O)[C@@]21C
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
Cc1ccn2cc(C(=O)NCCc3cc(F)cc4c3OCOC4)nc2c1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
N#Cc1cc(NC(=O)NCCC(N)=O)ccc1OCC(F)(F)F
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CC[n+]1c(N)n(CC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CSCC[C@@H]([NH3+])c1nc(-c2cccc(C(F)(F)F)c2)no1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1C
Fragment 2: [5*]NCC[8*]
### Response:
CC[C@H](CSC)NC(=O)NCCc1ccccc1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CCN1C(=O)C[C@@H](c2n(c3c(cccc3)n2)Cc2cc(ccc2)C)C1
### Response:
CCN1C[C@H](c2nc3ccccc3n2Cc2cccc(C)c2)CC1=O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCN([5*])CC1
Fragment 2: [5*]Nc1ccc(F)cc1C
### Response:
Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(Cc2cccs2)CC1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CC(C)(C)c1ccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)nn1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc(OC)cc1
Fragment 2: [1*]C(C)=O
### Response:
COc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(NC(C)=O)cc4)no3)C2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc2c(c1)C(=O)N(C)C2=O
Fragment 2: [1*]C(=O)C[7*]
### Response:
COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
C[NH2+][C@@]1(CO)CCC[C@H](Oc2cc(C)ccc2F)C1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C([C@@H](Sc1nncn1-c1ccccc1)c1ccccc1)N1CCOCC1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
CCCNC(=O)Nc1ccc2c(c1)C(=O)CCC2
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
C[NH2+][C@@H]1[C@@H](CN2Cc3ccccc3C2)C(C)(C)OC1(C)C
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1cccc(OC(F)F)c1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
Cc1cc(C)c2c(n1)oc1c(N3CC[NH+](CC(N)=O)CC3)ncnc12
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[C@@H](CS(C)(=O)=O)NC(=O)N1CCC[NH+](Cc2ccccc2)CC1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
N/[NH+]=C(/N)SCc1ccnc2ccccc12
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(Cc2nccs2)cc1C=O
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
Cc1ccsc1C(=O)N[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-]
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N([C@@H]1CCS(=O)(C1)=O)C(COc1ccc(F)cc1)=O)C(C)C
### Response:
CC(C)CN(C(=O)COc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(C(=O)COC(=O)c2ccc(-c3nc(C)no3)cc2)cc1F
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1S[C@@H]1CCS(=O)(=O)C1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
Cc1noc(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)n1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
OC[C@H]1O[C@H](O)[C@@H](F)[C@@H]1O
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(CCCS/C1=N\c1cccc(c1)C(F)(F)F)C(=O)c1ccc(cc1)C#N
### Response:
N#Cc1ccc(C(=O)N2CCCS/C2=N\c2cccc(C(F)(F)F)c2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1oc(C(=O)N2C[C@@H](C)Oc3ccccc32)cc1S(N)(=O)=O
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccsc1
Fragment 2: [5*]N([5*])C1CC1
### Response:
CN(C)c1cccc(C(=O)N(Cc2ccsc2)C2CC2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Nc1ccc2c(c1)C(=O)N(CCC(=O)[O-])C2
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)CC1=NN(C(=O)c2ccc(F)cc2)[C@](O)(C(F)(F)F)C1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1noc(C)n1
Fragment 2: [1*]C(=O)C1=Cc2cc(F)ccc2OC1
### Response:
Cc1nc(-c2cccc(NC(=O)C3=Cc4cc(F)ccc4OC3)c2)no1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(nc(C)nc1CCC(=O)N)[C@H]1N(c2ncnc(c2)C)CCC1
### Response:
Cc1cc(N2CCC[C@H]2c2cc(CCC(N)=O)nc(C)n2)ncn1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1nccn1-c1ccc([C@H](C)NC(=O)NCc2ccc(Cl)nc2)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1noc(C)c1COc1ccc(C(=O)N2CC[NH+](Cc3nc(-c4ccsc4)no3)CC2)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCC(=O)Nc1ccc(NC(=O)N2CC[C@H](C)[C@@H](O)C2)cc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CC(F)(F)F
Fragment 2: [1*]C(=O)NCC[4*]
### Response:
O=C(CC(F)(F)F)N1CCN(C(=O)NCC[NH+]2CCCCC2)CC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOC(=O)C1CCN(C(=O)c2c(-c3ccccc3)nnc3ccc(C)cc23)CC1
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)C[C@H](C(=O)NCC(=O)NC(C)(C)C)N1CCCCC1=O
### Response:
5 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc2c3nc(c(CCC(N[C@H](C)c4c(cccc4)C)=O)c(n3nc2cc1)C)C
### Response:
Cc1ccccc1[C@@H](C)NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [10*]N1CCCC1=O
Fragment 2: [16*]c1ccc(SC)cc1
### Response:
CSc1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)CCCN2CCCC2=O)cc1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
C[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(Br)s1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@H]1[C@@H]2C[C@H]3[C@H](OC(=O)[C@H]31)[C@@H]2Cl
Fragment 2: [5*]N1CCN(CC)CC1
### Response:
CCN1CCN(C(=O)[C@H]2[C@@H]3C[C@H]4[C@H](OC(=O)[C@H]42)[C@@H]3Cl)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1sccc1C
Fragment 2: [5*]NS(=O)(=O)c1c[nH+]ccc1NC
### Response:
CNc1cc[nH+]cc1S(=O)(=O)NCc1sccc1C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C#CCCOc1ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)cc1
### Response:
4 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCN1CC(=O)N(Cc2cccc(N)c2)CC1=O
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1ccccc1[16*]
Fragment 2: [3*]OCC(=O)NOC
### Response:
CONC(=O)COc1ccccc1OCC(F)(F)F |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
Cc1nc(S[C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)oc1C
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)(C)Oc1cc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])ccn1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1cc(C#N)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC(=O)N/N=C\c1ccc(SC)cc1
Fragment 2: [11*]SCc1ccc(Cl)cc1
### Response:
CSc1ccc(/C=N\NC(=O)CSCc2ccc(Cl)cc2)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(CNC(=O)NCc2nnc3n2CCC3)s1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@H]([8*])C
Fragment 2: [16*]c1c(Cl)ccc(F)c1Cl
### Response:
CCc1nn(C)cc1C(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(SCCC(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+]1CCCCC1
Fragment 2: [1*]C(=O)[C@H]1CCC(=O)N([10*])C1
### Response:
O=C([C@H]1CCC(=O)N(C2CC2)C1)N1CCC([NH+]2CCCCC2)CC1 |
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