task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1nnc2c([16*])c(C)nn2c1C
Fragment 2: [4*]Cc1ccccc1
### Response:
Cc1nn2c(C)c(C(=O)N3CCN(Cc4ccccc4)CC3)nnc2c1-c1cccc(Cl)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(OC)(=O)c1c(nc(=O)[nH]c1C)SCc1c(C)cccn1
### Response:
COC(=O)c1c(SCc2ncccc2C)nc(=O)[nH]c1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(c(F)cc1C(=O)CCC(N1[C@H](CO[C@@H](C1)C)C)=O)OC
### Response:
COc1ccc(C(=O)CCC(=O)N2C[C@@H](C)OC[C@@H]2C)cc1F |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1cc(Cl)cc(Cl)c1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(CN2CCN(C(=O)c3cccnc3SC)CC2=O)cc1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cc2c(cc1OC)[C@H](C(=O)[O-])[C@H](c1cccc(Cl)c1)N(C)C2=O
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COc1ccc(OC)c([C@H](c2nnnn2C2CCCC2)N2CCc3ccccc3C2)c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cc(/C=N/NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)n[nH]2)ccc1O
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccccc1Cl
Fragment 2: [5*]Nc1ccc2nn([9*])nc2c1
### Response:
COc1ccc(-n2nc3ccc(NC(=O)c4ccccc4Cl)cc3n2)cc1Cl |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
O[C@@H](c1ccc(Br)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NC[C@H]1CCCO1)c2[N+](=O)[O-]
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12ccccc1N(CCC2)c1cc([C@H](C)[NH2+]CC)ccn1
### Response:
CC[NH2+][C@@H](C)c1ccnc(N2CCCc3ccccc32)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1nc2ccccc2n1[9*]
Fragment 2: [3*]OCC[8*]
### Response:
Cc1ccc(C(C)C)c(OCCn2c(C[NH+]3CCOCC3)nc3ccccc32)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@@H](c1ccccc1)[C@H]1N=N/C(=N/C(=O)Nc2ccc(OC)cc2)S1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=[N+](c1cc(-c2nc(-c3ccc(-n4cccc4)cc3)no2)ccc1Cl)[O-]
### Response:
O=[N+]([O-])c1cc(-c2nc(-c3ccc(-n4cccc4)cc3)no2)ccc1Cl |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=S(=O)(NCC=C)Cc1ccc(NC(C2CCOCC2)=O)cc1
### Response:
C=CCNS(=O)(=O)Cc1ccc(NC(=O)C2CCOCC2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(C)NC(/C(=C\c1ccc(cc1)C)C#N)=O
### Response:
Cc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CC[C@@H](CSC)N(C)S(=O)(=O)c1ccc(C)cc1Br
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1noc([C@H](OC(=O)c2cccn2C)c2ccccc2)n1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(C(Nc1ccc(C)cc1C)=O)C[C@H](CC(=O)OCC)C
### Response:
CCOC(=O)C[C@H](C)CNC(=O)Nc1ccc(C)cc1C |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C3(c4cc(-c5ccco5)on4)CC3)cc2)nc(C)n1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(c(c(c1)Cl)NC(C[NH+]1CCC(C(NCCC)=O)CC1)=O)Cl
### Response:
CCCNC(=O)C1CC[NH+](CC(=O)Nc2c(Cl)cccc2Cl)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(n1/c(=N/C(=O)c2c[n+](ccc2)[O-])scc1)c1cc(C(C)=O)ccc1OCC
### Response:
CCOc1ccc(C(C)=O)cc1Cn1ccs/c1=N\C(=O)c1ccc[n+]([O-])c1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CCN(CC)S(=O)(=O)c1cc(C(=O)/N=c2/sccn2C)n(C)c1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1ccc(CN(C)C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)s1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(c1cnccn1)N(Cc1cccs1)C[C@@H]1CCCO1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC1=N[C@@H](CNC(=O)[C@H]2C=C(C[NH+](C)Cc3ccccc3)ON2)N=C1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCC([15*])CC1
Fragment 2: [1*]C(=O)[C@H]1N=NC2=C1CCCC2
### Response:
CC[C@@]1(C2CCN(C(=O)[C@H]3N=NC4=C3CCCC4)CC2)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H](O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CC(C)(CC(=O)Nc1ccc(Cl)nc1)NC(=O)OC(C)(C)C
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H]1CCC/C(=N/[NH+]=C(/[S-])NCc2ccccc2)C1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N([C@@H](C(OC[C@H]2C[NH+](Cc3ccccc3)CC2)=O)CC1)S(=O)(=O)C
### Response:
CS(=O)(=O)N1CCC[C@@H]1C(=O)OC[C@@H]1CC[NH+](Cc2ccccc2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cccc1[C@H]1CCCN1C(=O)CCSCC(OC)=O)Cl
### Response:
COC(=O)CSCCC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
S(c1cccc(NC([C@H]([NH2+][C@@H](c2cc3c(OCO3)cc2)C)C)=O)c1)C
### Response:
CSc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCO3)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN[C@H]1[C@@H](C[NH+](C)CC2CCCCC2)C(C)(C)OC1(C)C
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
CC(C)CCCOC/C=C/CS
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H]12CCCO[C@H]1CCN(C2)C(N[C@@H](CCC(OCC)=O)C)=O
### Response:
CCOC(=O)CC[C@@H](C)NC(=O)N1CC[C@@H]2OCCC[C@@H]2C1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCn1nc(C)c2c(C(=O)N[C@H](C)c3ccccc3)cc(C)nc21
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)([NH2+]CCCc1ccccc1)C(=O)NC1CCC(O)CC1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H]1CSCN1[5*]
Fragment 2: [15*]C1CC1
### Response:
CN(C[C@H](O)C1CC1)C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]([NH2+]Cc1ccc(cc1)C#N)(c1ccc(F)cc1)C1CC1
### Response:
N#Cc1ccc(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(C(=O)CSC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cccc(-n2nnc(C(=O)NC[C@@H]3CCOC3)c2C)c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(C(=O)n2nc(-c3ccccc3)nc2NCc2ccc(F)cc2)cc1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cccc(N2C(=O)S/C(=C\c3cccc(F)c3)C2=O)c1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@]1(C(=O)N2CCN3C(=O)NC[C@H]3C2)CCC[NH2+]1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC1(C)CCC[C@@H]1Nc1cccc(Cl)c1C(N)=S
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(c1cc2C(CCl)=NC(CC)(CC)Cc2cc1OC)C
### Response:
CCC1(CC)Cc2cc(OC)c(OC)cc2C(CCl)=N1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc2c(c1)OC[C@@H]2[NH3+]
Fragment 2: [3*]OCC(C)(C)C(=O)OC
### Response:
COC(=O)C(C)(C)COc1ccc2c(c1)OC[C@@H]2[NH3+] |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CCN1C(=O)C([O-])=C(C(=O)/C=C/c2ccco2)[C@@H]1c1ccc(C(C)C)cc1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1C(=O)N(C)C
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H](Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])c1ccccc1Cl
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(N1CCC(c2c3c(nccc3)[nH]c2)=CC1)CCNC(c1ccc(cc1)Cl)=O
### Response:
O=C(NCCC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1)c1ccc(Cl)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
S(c1n(-c2ccccc2)c(=O)c2c(sc3c2CCN(C3)C)n1)CCO
### Response:
CN1CCc2c(sc3nc(SCCO)n(-c4ccccc4)c(=O)c23)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH2+]CCN(C)C(=O)[C@@H]1Cc2ccccc2S1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1N
Fragment 2: [16*]c1cc(OC)ccc1F
### Response:
COc1ccc(F)c(-n2nnnc2-c2ccccc2N)c1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
COc1cc(C(=O)[O-])cc(-c2cc(Cl)ccc2OC)c1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc([N+](=O)[O-])cc1
Fragment 2: [1*]C(=O)c1cc(S(=O)(=O)CC)ccc1Cl
### Response:
CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C(Nc1ccc(-n2cncn2)cc1C(F)(F)F)N1CCC([C@@H](O)c2ccccc2)CC1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccs1
Fragment 2: [1*]C(=O)C[8*]
### Response:
O=C(Cc1cccs1)N1CCc2c([nH]c3ccccc23)C1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(C2=NN(C(=O)CSc3nncs3)[C@@H](c3ccco3)C2)cc1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
COc1c(cccc1)CNC(=O)c1n(Cc2cc(F)ccc2)c2ccsc2c1
### Response:
COc1ccccc1CNC(=O)c1cc2sccc2n1Cc1cccc(F)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H]1CCC[C@@H](NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)C1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc(NC(=O)C(=O)NCc2ccc(Cl)cc2)n(-c2nc(C)c(C)c(=O)[nH]2)n1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(NC[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1O)Nc1ccccc1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1cccc(N2C(=O)C[C@@H](N3CCN(c4ccc5c(c4)OCO5)CC3)C2=O)c1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(C)c1c(c(ccc1C[NH+]1[C@@H]2CC[C@@H](CN(C2)C)C1)OC)OC
### Response:
COc1ccc(C[NH+]2C[C@H]3CC[C@@H]2CN(C)C3)c(OC)c1OC |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccnc([C@H](C)NC(Nc2c(C)c(C)ccc2)=O)c1
### Response:
Cc1cccc(NC(=O)N[C@@H](C)c2ccccn2)c1C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN[C@H](c1ccc(C(C)C)cc1)[C@@H]1CN2CC[NH+]1CC2
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)c1cc2c(cc1NC(=O)C[NH+]1CCN(Cc3nc4ccccc4s3)CC1)OCO2
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C1CCCC[C@@H]1Sc1nccn1-c1ccccc1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccsc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[NH+](C)([C@](CC)([C@@H](O)Cc1csc(n1)C)C)C
### Response:
CC[C@](C)([C@@H](O)Cc1csc(C)n1)[NH+](C)C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=S(=O)(CC1CCC1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccc(c(c1)F)F)CCC(NCCOC)=O
### Response:
COCCNC(=O)CCc1ccc(F)c(F)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C=CCC[C@H](C)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1
### Response:
6 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)OC(=O)CNC(=O)[C@H]1C[C@H]2CC[C@@H]1O2
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
COCCn1cc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)cn1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCOC(=O)CNC(=O)c1cccnc1Sc1ccc(Br)cc1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(=O)n(c(nc2ccsc12)SCC(Nc1c(OC)ccc(c1)OC)=O)-c1ccccc1C
### Response:
COc1ccc(OC)c(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2C)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [12*]S(=O)(=O)c1ccc(C)cc1
Fragment 2: [5*]N1CCCC1
### Response:
Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)OCCS(=O)(=O)[N-]c1ccc2c(c1)CCO2
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc2ccccc2n1
Fragment 2: [4*]CCN[5*]
### Response:
O=C(C#Cc1ccccc1)NCCNc1ccc2ccccc2n1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nnc(NCCNc2ncccc2C(F)(F)F)c(C#N)c1C
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
O=C(Nc1cccc(OC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])c1)c1ccccc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCCCCC1OCCNC(=O)N1CC[C@@H]([N+]2CCCC=2)C1
### Response:
O=C(NCCOC1CCCCCC1)N1CC[C@@H]([N+]2=CCCC2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc(c(NC(=O)[C@@H]2Oc3ccccc3N(C2)S(=O)(=O)Cc2ccccc2)c1Cl)Cl
### Response:
O=C(Nc1c(Cl)cccc1Cl)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(OC)c(OC)c1
Fragment 2: [4*]CC(=C)C
### Response:
C=C(C)COc1ccc2oc(=O)c(-c3ccc(OC)c(OC)c3)c(C)c2c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C[C@H]1COC(=O)C1
Fragment 2: [15*][C@H]1COC(=O)C1
### Response:
O=C1C[C@@H](Cc2ccccc2)CO1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(C#N)cc1
Fragment 2: [5*]NCc1cccc(CO)c1
### Response:
N#Cc1ccc(OCC(=O)NCc2cccc(CO)c2)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCCC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(SC)cc3)C2)o1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
CCC(=O)N1CCCC[C@@H]1C(=O)NCCc1ccc(F)cc1C
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc2OC[C@H](CN[C@H](c3cccc(c3)Cl)C)c2cc1
### Response:
C[C@H](NC[C@H]1COc2ccccc21)c1cccc(Cl)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C)nc(C)sc1CCNC(Nc1cccc(c1)[C@@H](SC)C)=O
### Response:
CS[C@@H](C)c1cccc(NC(=O)NCCc2sc(C)nc2C)c1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC(=O)N[C@@H](CC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccccc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@H](C)[NH+](C)C[C@H](N)c1ccc(C)cc1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cccc([C@@H](CO)NC(=O)NCc2scnc2C)c1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NC1CCC(C)CC1
Fragment 2: [1*]C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1
### Response:
CC1CCC(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [11*]Sc1ccccc1
Fragment 2: [5*]Nc1ccccc1S[11*]
### Response:
Cc1nnc(S[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)n1N |
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