task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(C)=O
Fragment 2: [6*]C(=O)[O-]
### Response:
CC(=O)N1CCN(c2c(Cl)cccc2[C@@H]2C[C@H](C(=O)[O-])CC2=O)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(C)cc1-c1csc(NC(=O)c2ccc(Cn3ccccc3=O)o2)n1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CN1C[C@H](NC(=O)/C=C/c2cnc(C(C)(C)C)s2)CCC1=O
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
N#Cc1ccc(C(F)(F)F)nc1NCCC[NH2+]C1CC1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(ccc(NC(=O)N([C@@H](C)C2CC2)C2CC2)c1)O[C@H]1CCOC1
### Response:
C[C@@H](C1CC1)N(C(=O)Nc1ccc(O[C@H]2CCOC2)cc1)C1CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(Oc1ccccc1)CNC(Nc1cc2c(cc1)n(c(=O)o2)C)=O
### Response:
Cn1c(=O)oc2cc(NC(=O)NCCOc3ccccc3)ccc21 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]1(CCC[C@H](C1)C(Oc1cc(C)ccc1)=O)C(F)(F)F
### Response:
Cc1cccc(OC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Nc1nnc(SCc2ccccc2)s1)[C@H]1CC(=O)N(c2ccccc2)C1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
o1c(ccc1)[C@@]1(C(N(C(=O)N1)CCOCCO)=O)C
### Response:
C[C@]1(c2ccco2)NC(=O)N(CCOCCO)C1=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc2cc(CO)c(N3CCN(C4Cc5ccccc5C4)CC3)[nH+]c12
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
FC(F)(F)COc1ccccc1CSc1nnnn1C1CC1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1ncccc1C
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1c(F)cccc1F
Fragment 2: [5*][NH+]1C[C@@H](CO)CC[C@@H]1C
### Response:
C[C@H]1CC[C@H](CO)C[NH+]1Cc1c[nH]nc1-c1c(F)cccc1F |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N(C[C@H](C[C@@H](CSC(C)(C)C)O)CC1)S(C)(=O)=O
### Response:
CC(C)(C)SC[C@@H](O)C[C@@H]1CCCN(S(C)(=O)=O)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc([C@@H]2[C@H](C(=O)NCc3ncn(C)n3)CCC(=O)N2C)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(CN(C)C(=O)c2[n-]nnn2)ccc1SC
### Response:
CSc1ccc(CN(C)C(=O)c2nnn[n-]2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+]1CCCC[C@@H]1[13*]
Fragment 2: [4*]CC[S@@](=O)c1cc(Cl)ccc1Cl
### Response:
NC(=O)[C@H]1CCCC[NH+]1CC[S@@](=O)c1cc(Cl)ccc1Cl |
functional_group | ### Instruction:
Does the molecule contain a ether group?
Br[C@H]1CCC[C@@H]1C[C@H]1COc2ccccc21
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCc1nn(C)c(OC)c1CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)C[C@@H]1OC(=O)c3ccccc31)CC2
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1(C[C@@H]([NH2+][C@@H](c2ncc(F)cc2)C)CN1c1ccccc1)=O
### Response:
C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(F)cn1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1)CN1[C@H](CC)CN(C([C@@H](C)S(C)(=O)=O)=O)[C@@H](CC)C1
### Response:
CC[C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)[C@@H](CC)CN1Cc1ccccc1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
C[C@H](C#N)CNC(=O)C(=O)Nc1ccc2nc(C3CC3)oc2c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1c(CCC(=O)NC2CC2)c(=O)n2nc(-c3ccccc3)nc2n1Cc1ccccc1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc(F)c(OC)c(F)c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(C(=O)[C@@H](C)SC1CCCC1)[C@@H]1CCS(=O)(=O)C1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)c1ccc(NC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccc(C)cc4C)c(=O)n32)cc1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1[NH2+]Cc1cccnc1N1CCC[C@H](C(N)=O)C1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)c1ccc(-c2csc(NC(=O)c3ccc(S(C)(=O)=O)cc3)n2)cc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(CCN(Cc1cscc1)S(=O)(=O)c1ccc(F)cc1F)C
### Response:
COCCN(Cc1ccsc1)S(=O)(=O)c1ccc(F)cc1F |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C#CCn1/c(=N/S(=O)(=O)c2ccc(F)cc2)sc2cccc(F)c21
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
C#CC[C@H](C)OC(=O)[C@H](C)Oc1ccc(Cl)cc1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1cc(O)ccc1Br
Fragment 2: [4*]C[C@@H]1CCN([5*])C1
### Response:
CC[NH+](C)C[C@@H]1CCN(Cc2cc(O)ccc2Br)C1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
Cc1cc(Cl)cc(C)c1OCC(=O)Nc1ccc(F)cc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C#CCNC(=O)/C=C/c1cc(Br)ccc1OC
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1cc(CNC(=O)c2ccc3c(c2)CCC(=O)N3)ccn1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)N1CCN(C[8*])CC1
Fragment 2: [5*]NCC
### Response:
CCNC(=O)N1CCN(CN2CCCCC2=O)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N12C(=O)CC[C@@]2(C)SC[C@H]1C(=O)NCc1cccc(c1)C(F)(F)F
### Response:
C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)CS2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C)c(NC(=O)c2cccc3ccccc23)c(N)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(CNC([C@H](C)Sc1ccccn1)=O)C
### Response:
CC(=O)CNC(=O)[C@H](C)Sc1ccccn1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC(=O)Nc1ccc(C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)cc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccccc1CCNC(=O)c1cccc2[nH]ccc12
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccoc1C(=O)N[C@@H]1CCS(=O)(=O)C1
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOc1ccccc1/C=C/C(=O)N[C@@H](C#N)C(C)(C)C
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@H]1CCC[NH+](C[C@H](C[NH3+])CC(C)C)CC1
### Response:
5 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1csc([C@H](NC(=O)N2CC[C@H]2c2ccc(Cl)cc2)C2CC2)n1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1oc(C(C)C)cc1C(=O)N1CCC2(CC1)[C@@H](C(=O)[O-])CC(=O)N2C
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCCCC(=O)n1nc(C)c(CC(C)C)c1C
### Response:
6 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(C(O[C@@H](c2onc(C)n2)C)=O)cccc1OC(F)F
### Response:
Cc1noc([C@@H](C)OC(=O)c2cccc(OC(F)F)c2)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NC[C@@H]1CCC[C@H](C)C1
Fragment 2: [1*]C(=O)C([1*])=O
### Response:
Cc1ccn(C)c(=O)c1NC(=O)C(=O)NC[C@@H]1CCC[C@H](C)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1-n1cncc1)NC([C@H](C(C)C)NC(=O)OCC)=O
### Response:
CCOC(=O)N[C@H](C(=O)Nc1ccc(-n2ccnc2)cc1)C(C)C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@@H]1CCCC[C@@H]1CC
Fragment 2: [16*]c1cccnc1C
### Response:
CC[C@H]1CCCC[C@H]1NC(=O)Nc1cccnc1C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cn1nc(-c2ccccc2)c(CN2CCN3C(=O)NC[C@H]3C2)c1Cl
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCc1ccccc1[16*]
Fragment 2: [1*]C(=O)[C@@H]([8*])OC
### Response:
CO[C@@H](C(=O)NCc1ccccc1Oc1ccccc1)c1ccccc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*][C@H]1CCC[NH2+]C1
Fragment 2: [9*]n1nc(C)cc1C
### Response:
Cc1cc(C)n([C@H]2CCC[NH2+]C2)n1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1cccc2nc(CC[C@@H]3CCC[NH2+]C3)oc12
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cccc([C@@H](CO)NC(=O)c2c(Cl)nc3ccccn23)c1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)NCC(C)(C)C
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1ccn(C(F)F)c1CN1CCN(CC1)[C@@H](C(NC(CC)(C)C)=O)C
### Response:
CCC(C)(C)NC(=O)[C@@H](C)N1CCN(Cc2nccn2C(F)F)CC1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CSc1ccc(NC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O[C@H]1[C@H](C)CCN(C1)C(=O)c1nc(OC(C)C)ccc1
### Response:
CC(C)Oc1cccc(C(=O)N2CC[C@@H](C)[C@H](O)C2)n1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)[NH+]1CCC[C@H](CNC(=O)c2cc(C3CCCCC3)no2)C1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CN(CCOc1ccc(Cl)cc1)C(=O)CCc1cccnc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCc1cccs1
Fragment 2: [4*]Cc1cccs1
### Response:
CC(C)(CCO)CNC(=O)NCc1cccs1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3cccc(C)c3)c2C)cc1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(cc(ccc1OC)F)NC(=O)N[C@H](c1n(-c2ccccc2)nnn1)C
### Response:
COc1ccc(F)cc1NC(=O)N[C@@H](C)c1nnnn1-c1ccccc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(C(=O)[O-])cc1NC(=O)c1nn(C)c(=O)c2ccccc12
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCCCC1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
S1CCC(NC(=O)C[C@H](CC)c2ccccc2)(CC1)C(=O)OC
### Response:
CC[C@@H](CC(=O)NC1(C(=O)OC)CCSCC1)c1ccccc1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
N#C/C(=C/c1ccc(Cl)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NCc1ccco1)N[C@@H]1CC[NH+](Cc2noc(-c3ccccc3)n2)C1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1nc2c(cnn2cc1CN1C[C@@H](C(F)(F)F)OCC1)-c1ccccc1
### Response:
FC(F)(F)[C@@H]1CN(Cc2cnc3c(-c4ccccc4)cnn3c2)CCO1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cc(C)c([N+](=O)[O-])cn1
Fragment 2: [3*]OC(C)C
### Response:
Cc1cc(NC[C@H](O)c2cccc(OC(C)C)c2)ncc1[N+](=O)[O-] |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1c(C)cc(C(=O)[C@@H]2CCC[NH+](Cc3nc(-c4ccccc4)no3)C2)cc1C
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC[8*]
Fragment 2: [1*]C(=O)[C@@H]1C[C@H]2CC[C@@H]1C2
### Response:
Cc1n[nH]c(C)c1CCOC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COC(=O)C1=C(N)N2C(=O)CCSC2=C(C#N)[C@@H]1c1cccs1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nc(C)n(CC(=O)Nc2cccc(I)c2)n1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H](C[C@H]1[NH+]=C2CCC[C@H](C)N2C1=[NH2+])c1ccccc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1ccccc1-c1nn(CN2CCCc3ccc(S(C)(=O)=O)cc32)c(=S)o1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc2c(c1)OCO2
Fragment 2: [4*]CC=C
### Response:
C=CCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCO3)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1ccnc1C
Fragment 2: [5*]N[C@H]([8*])C
### Response:
Cc1nccn1-c1ccc([C@H](C)NC(=O)NCc2ccc(Cl)nc2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COc1ccccc1CNC(=O)c1cc(C)on1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
COc1cc(C)c(NC(=O)[C@@H]2CCO[C@@H]2C)cc1OC
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(c(cc1)NC(=O)COc1c2c(c(Cl)cc1Cl)ccc(n2)C)N1CCCC1=O
### Response:
Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccccc3N3CCCC3=O)c2n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(CCN(CC1)C(=O)N[C@H]1[C@@H](CCC1)SC)Cc1ccccc1
### Response:
CS[C@@H]1CCC[C@H]1NC(=O)N1CCN(Cc2ccccc2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=c1c2c(cccc2)n2c(n1-c1ccccc1C)nnc2SCC(=O)N[C@H]1CCCC[C@H]1C
### Response:
Cc1ccccc1-n1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3CCCC[C@H]3C)nnc12 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(CN1CCCCCC1=O)Nc1cccc(-c2ccn[nH]2)c1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOc1ccc(C2=CCN(C(=O)C[C@H](C)c3c(C)noc3C)CC2)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C1(N2CCOCC2)CCCC1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCC(=O)Nc1ccc(C)c(NC(=O)NCc2ccc3c(c2)CCC3)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CCOC(=O)N(C)c1ccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1n(-c2ccc(cc2)C)c(CC)c(C(=O)N[C@H](c2ccncc2)C)c1
### Response:
CCc1c(C(=O)N[C@@H](C)c2ccncc2)cnn1-c1ccc(C)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c2c(SCCCN2CC(=O)NCc2ccccc2)ccc1
### Response:
O=C(CN1CCCSc2ccccc21)NCc1ccccc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(Cc1cc(F)cc(c1)OC)c1n2ncnc2nc(COC)c1
### Response:
COCc1cc(NCc2cc(F)cc(OC)c2)n2ncnc2n1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1nc2ccccc2n1CCC[NH2+]Cc1cccc(F)c1F
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)c(C)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCS(C)(=O)=O
Fragment 2: [14*]c1cc(C)c(C[NH3+])o1
### Response:
Cc1cc(C[NH+](C)CCS(C)(=O)=O)oc1C[NH3+] |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(NC(=O)N2CCC[C@H]3CCC[C@H]32)ccc1N1CCSCC1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1CCCCC1
Fragment 2: [15*][C@H]1CCS(=O)(=O)C1
### Response:
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)NC2CCCCC2)CC1 |
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