task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COc1ccc([C@H]2CCCCCN2C(=O)CCn2nc(-c3cccs3)oc2=O)cc1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C=CC[NH2+]CC(=O)N1CCCC[C@@H]1C(=O)NC
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C1N2[C@@H](CN(CC2)Cc2cc(cc(Cl)c2)Cl)CN1
### Response:
O=C1NC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3)CCN12 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Nc1cccc(I)c1)c1ccc(CO)cc1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOc1ccccc1NC(=O)C(=O)NCCC1=c2ccccc2=[NH+]C1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@H](C)CN(CC)C(=O)[C@@H](/C(N)=N/O)c1ccccc1
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(onc1-c1cn2c(nnc2cc1)C)-c1ccc(C#N)cc1
### Response:
Cc1nnc2ccc(-c3noc(-c4ccc(C#N)cc4)n3)cn12 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C/C=C(\C)C(=O)N1CCC([C@]2(CCC(C)C)NC(=O)N(Cc3ccccn3)C2=O)CC1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1CC1
Fragment 2: [1*]C(=O)c1cccc([16*])c1
### Response:
CSC[C@](C)(O)CNC(=O)c1cccc(-c2noc(C3CC3)n2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1n[nH]c(=O)c2ccccc12
Fragment 2: [3*]Oc1cccc(C)c1
### Response:
Cc1cccc(OC[C@H](O)CNC(=O)c2n[nH]c(=O)c3ccccc23)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]C1CCSCC1
Fragment 2: [1*]C(=O)C[7*]
### Response:
CNC(=O)[C@@H](C)NC(=O)C=C1CCSCC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](C(=O)N1CCCCC1)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COCc1nc(-c2ccc(Cl)cc2)nn1[C@@H]1CCS(=O)(=O)C1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CS[C@H]1CC[C@H](NC(=O)c2ccc(N3CCNC3=O)cc2)C1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(Cc1cnn(C)c1)C(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc([C@H]2CCCCN2C(=O)NCc2nnc3n2CCCCC3)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCC[C@H](C)[C@@H]1C[NH3+]
Fragment 2: [1*]C(=O)c1ccc(SC)cc1
### Response:
CSc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1ccc(/C=C/C(=O)NC[C@@H]2CCCO2)cc1OC
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCc1ccccc1OC
Fragment 2: [1*]C(=O)c1nn(C)c(=O)c2ccccc12
### Response:
COc1ccccc1CNC(=O)c1nn(C)c(=O)c2ccccc12 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc(NC(=O)c4ccco4)c3)cc12
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC1(C)C[C@@](O)(CC[C@@H]2CCCO2)C(C)(C)O1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
N#Cc1ccc(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)cc1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Clc1ccc(cc1)N1[C@H](CC(=O)NC2CCCC2)ON(C)C1=O
### Response:
CN1O[C@@H](CC(=O)NC2CCCC2)N(c2ccc(Cl)cc2)C1=O |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CCN(c1cccc(N)c1)S(=O)(=O)CCOC(C)C
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1ccccc1[N+](=O)[O-]
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COC(=O)c1ccc(NC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccc(C)cc4C)c(=O)n32)cc1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1ccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)cc1Cl
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC(=O)Nc1ccc(F)c(NC(=O)C2(c3ccc(Cl)cc3)CC2)c1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCC[C@H](C[NH3+])C1
Fragment 2: [1*]C(=O)C[C@H](C)COC
### Response:
COC[C@@H](C)CC(=O)N1CCC[C@H](C[NH3+])C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
OC[C@@H]1CN(CC1)c1c(C)cccc1C
### Response:
Cc1cccc(C)c1N1CC[C@H](CO)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)C[C@H](NC(=O)c1ccc(F)c(C(F)(F)F)c1)C1CC1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(SCCC(C)([C@@H]2CC[C@H](C[C@H]2[NH3+])C)C)ccccc1
### Response:
C[C@@H]1CC[C@@H](C(C)(C)CCSc2ccccc2)[C@H]([NH3+])C1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCN(CC)c1ccc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CC[C@H](C)C[NH+](CC)Cc1cc2ccccc2nc1NC
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@H](c3ccccc3Cl)C2)c(C)c1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O1COc2c1ccc(CNC(c1c3ccccc3n(c1)CCOC)=O)c2
### Response:
COCCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N([5*])Cc1ccco1
Fragment 2: [4*]Cc1ccco1
### Response:
Cc1c(C(=O)N(Cc2ccco2)Cc2ccco2)oc2cc(Br)ccc12 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [6*]C(=O)C[C@]1(O)C(=O)Nc2ccc(CC)cc21
Fragment 2: [16*]c1cccc(OC)c1
### Response:
CCc1ccc2c(c1)[C@](O)(CC(=O)c1cccc(OC)c1)C(=O)N2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1N=C(c2ccc(I)cc2)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N12
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(C)(c1nc(on1)[C@H]1CC[NH2+][C@H]1C)c1ccccc1
### Response:
C[C@@H]1[NH2+]CC[C@@H]1c1nc(C(C)(C)c2ccccc2)no1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1[nH]c(S[C@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)nc1Cc1ccccc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)c1ccc2c(c1)[C@@H]([NH2+]CC/N=C(\O)c1ncccc1O)CCC2
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1CC[NH+](C)CC1
Fragment 2: [11*]SCC
### Response:
CCS[C@H]1CC[C@@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1sc(C)cc1O
Fragment 2: [6*]C(=O)OC
### Response:
COC(=O)c1sc(C)cc1O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(c2n(c(N3CCC(C(=O)N)CC3)nc2n(c(n1Cc1ccc(cc1)Br)=O)C)C)=O
### Response:
Cn1c(N2CCC(C(N)=O)CC2)nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1)c1ccco1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)(C)OC(=O)N1CCCC[C@H]1CS(=O)(=O)c1cc(C#N)ccn1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=S(=O)(N1CCN(C(=O)[C@@H]2Sc3c(cccc3)C2)CC1)c1cc2ccccc2cc1
### Response:
O=C([C@H]1Cc2ccccc2S1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C1CN([5*])C1
Fragment 2: [12*]S(=O)(=O)c1ccc(F)cc1
### Response:
O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)C1CN(S(=O)(=O)c2ccc(F)cc2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C([O-])=O)ccc(cc1)COc1c(cc(C=O)cc1Cl)Cl
### Response:
O=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)(C)c1ccc(NC(=O)C(=O)NCCc2cccs2)cc1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
COc1ccc(-[n+]2noc([O-])c2C(=O)NCc2ccccc2Cl)cc1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H](O)CC(C)(C)CN[C@@H]1CCC[NH+](Cc2ccccc2)C1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C=CCN(C(=O)c1cc(S(=O)(=O)N(C)C)oc1C)c1ccccc1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H]1C[C@@H]([NH3+])CN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@H](C)[C@@H](C)O
Fragment 2: [6*]C(=O)[O-]
### Response:
C[C@H]([C@@H](C)O)[NH+]1CC[C@@](C)(C(=O)[O-])C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)N1CCOC[C@H]1[13*]
Fragment 2: [4*]CC1(C[8*])CC1
### Response:
O=C(NCC1(Cc2ccccc2)CC1)N1CCOC[C@H]1C1CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc(C)cc1
Fragment 2: [16*]c1ccc(C)cc1
### Response:
Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(ccc(c1)/C=C/c1n(C)c(c2cc(ccc2n1)I)=O)F
### Response:
Cn1c(/C=C/c2ccc(F)cc2)nc2ccc(I)cc2c1=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCCNC(=O)C1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1
### Response:
4 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
[NH3+]CC1([C@H](O)c2ccccc2)CCOCC1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CC[NH+]2CCC[C@@H]2C1
Fragment 2: [4*][C@@H](CC(=O)OC)C(=O)[O-]
### Response:
COC(=O)C[C@H](NC(=O)N1CC[NH+]2CCC[C@@H]2C1)C(=O)[O-] |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@@H]1CCC[C@H](C)[C@H]1C
Fragment 2: [3*]Oc1cccnc1
### Response:
C[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)C(=O)Nc1ccc(Oc2cccnc2)nc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCNC(=O)NC(=O)[C@@H](C)Oc1ccccc1[C@@H](C)[NH2+]C
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][N-]S(=O)(=O)c1sccc1OC
Fragment 2: [16*]c1ccccc1
### Response:
COc1ccsc1S(=O)(=O)[N-]c1ncccc1-c1ccccc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Fc1cc(ccc1/N=C/c1cc2c(nccc2)cc1)C
### Response:
Cc1ccc(/N=C/c2ccc3ncccc3c2)c(F)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CC=C
Fragment 2: [1*]C(=O)C[8*]
### Response:
C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=NS(=O)(=O)c1ccc(F)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccnc2ccccc12
Fragment 2: [5*]N1CC[C@H]([15*])C1
### Response:
CC(C)NC(=O)c1cc([C@H]2CCN(Cc3ccnc4ccccc34)C2)nc2ccccc12 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cc(C(=O)N2CCC[C@H](c3noc(-c4ccccn4)n3)C2)cc(OC)c1OC
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cn1ncnc1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc(O[C@@H](C)C(=O)Nc2sc3c(c2C(=O)NCc2cccnc2)CCC3)c1C
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C=CCOc1ccc([C@@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(=O)CC)cc1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCc1cc(O)n2nc([C@@H]3CCCN3C(=O)c3cc(C)no3)cc2n1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
N#Cc1ccsc1NC(=O)COC(=O)/C=C/c1cccc(F)c1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(NC(=O)C2CN(S(C)(=O)=O)C2)c(OC)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
O=C1Oc2ccccc2[C@@H]2[C@@]1(C(=O)N1CCOCC1)[C@]21Cc2ccccc2C1=O
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1(N(CCC1)C[C@@H]1CCCCN1CC(=O)c1cc(C)n(C2CC2)c1C)=O
### Response:
Cc1cc(C(=O)CN2CCCC[C@H]2CN2CCCC2=O)c(C)n1C1CC1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1cc([N+](=O)[O-])ccc1F
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCc1cc(OC[C@@H]2CN(CC)CCO2)c(C(=O)[O-])s1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOC(=O)c1nc2c(=O)oc3ccccc3c2n(C)c1=O
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1)-c1nnc(C[NH+]2CCCN(C(C)=O)CC2)o1
### Response:
CC(=O)N1CCC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[NH+](CC[C@]1(O)Cc1ccc(cc1)O)C
### Response:
C[NH+]1CC[C@](O)(Cc2ccc(O)cc2)C1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(=O)c1ccc(NC(=O)[C@@H](C)Cc2c(C)noc2C)cc1C
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1F
Fragment 2: [4*][C@@H]([8*])c1ccc2cccnc2c1O
### Response:
Oc1c([C@@H](Nc2cccc[nH+]2)c2ccccc2F)ccc2cccnc12 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCC(=O)CC1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cc(c(c1)Cl)C(Nc1ccc2cn[nH]c2c1)=O)N1C(=O)[C@@H](C)CS1(=O)=O
### Response:
C[C@H]1CS(=O)(=O)N(c2ccc(Cl)c(C(=O)Nc3ccc4cn[nH]c4c3)c2)C1=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC[NH2+][C@@H](Cc1ccccc1)[C@H]1OCCN(C1)CC
### Response:
CC[NH2+][C@@H](Cc1ccccc1)[C@@H]1CN(CC)CCO1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cc1ccc(C)cc1N1[C@@H](SCC1=O)c1cc(NC(=O)[C@@H](C)Cl)ccc1
### Response:
Cc1ccc(C)c(N2C(=O)CS[C@H]2c2cccc(NC(=O)[C@@H](C)Cl)c2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C#CCOC[C@@H]1CCCN(C(=O)c2cccc(OC)c2OC)C1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cccc2c1CC[C@H]2[NH2+][C@H](C)CCN1CCOCC1
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1c(C)cnc(CNC(=O)Nc2ccc(N(C)C)cc2)c1C
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCCC[C@@H]1[13*]
Fragment 2: [1*]C(=O)C[8*]
### Response:
Cc1cccc(CC(=O)N2CCCC[C@@H]2c2c(-c3onc(C)c3C)cnn2C)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NC[C@]([8*])(C)O
Fragment 2: [1*]C(=O)CS[11*]
### Response:
C[C@](O)(CNC(=O)CSCc1ccncc1)c1ccc(F)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH2+]C[C@@H]1Cc2ccccc2S1
Fragment 2: [5*][NH2+][C@@H](C)CC[8*]
### Response:
C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1Cc2ccccc2S1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@@H](CO)[NH2+]C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@H]4[C@@H]21
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C3(c4cc(-c5ccco5)on4)CC3)cc2)nc(C)n1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C#CCN1CCN(CC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1
### Response:
3 |
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