task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@H](CN[5*])C(C)C
Fragment 2: [16*]c1ccc(Cl)cc1Cl
### Response:
CC(C)[C@@H](CNC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)N1CCOCC1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
CC(=O)Nc1cc(C(=O)Nc2ccc(-n3cncn3)nc2)ccc1C
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[NH2+][C@H]1CC[C@@H]([NH+]2CCCC2(C)C)C1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1nnn[n-]1
Fragment 2: [5*]N1CCC[C@@H]1[C@@H]1CCC[NH2+]1
### Response:
O=C(c1nnn[n-]1)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)N(C)c1cccc(NC(=O)N(CC2CC2)[C@@H](C)c2ccccc2)c1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
NC(=O)[C@H](c1ccc(F)cc1)N1CCC[C@H]1Cn1cccn1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Clc1cccc(-c2nnc(Cn3nccc3-c3ccncc3)o2)c1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CNC(=O)C[NH+](C)[C@H](C)c1cc(C)c(C(=O)OC)o1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC1(C)[C@]2(C(=O)Nc3ccc(I)cc3)CC[C@@]1(C)/C(=N/O)C2
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[S@@](=O)CCNC(=O)CCc1cccc(Cl)c1Cl
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C)nc(/N=C(\N)Nc2ccc(-c3ccccc3)cc2)n1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc(CO[3*])o1
Fragment 2: [1*]C(=O)c1ccc(C[4*])o1
### Response:
O=C(Nc1cc(F)ccc1F)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N([C@H](C)C(C)C)CC)([C@@H]1CCCN(C(OC)=O)C1)=O
### Response:
CCN(C(=O)[C@@H]1CCCN(C(=O)OC)C1)[C@H](C)C(C)C |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC(C)c1cnc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N(c1ccccc1C(=O)OC)CC)([C@@H]1[C@H](C)OCC1)=O
### Response:
CCN(C(=O)[C@H]1CCO[C@H]1C)c1ccccc1C(=O)OC |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C[C@@H](NC(=O)NCC(Nc1ccccc1)=O)c1sc(cc1)Cl
### Response:
C[C@@H](NC(=O)NCC(=O)Nc1ccccc1)c1ccc(Cl)s1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH2+][C@@H]1CCCC[C@@H](c2cccc(OC(C)C)c2)C1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(SC)ccc1CNC(CNC(=O)[C@]1(N(C)C(CN(C1)S(=O)(=O)C)=O)C)=O
### Response:
CSc1ccc(CNC(=O)CNC(=O)[C@]2(C)CN(S(C)(=O)=O)CC(=O)N2C)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CNC(=O)COc1cccc(NC(=O)[C@H]2CC[NH2+][C@@H]2C)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCN([5*])CC1
Fragment 2: [12*]S(C)(=O)=O
### Response:
C[NH2+][C@@H]1[C@@H](CN2CCN(S(C)(=O)=O)CC2)CCCC1(C)C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCCC(N1CC1(CS)CCCC1)=O
### Response:
O=C1CCCCN1CC1(CS)CCCC1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
O=C(c1c[nH]c2ccc(F)cc12)N(CC1CC1)CC(F)(F)F
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1S(=O)(=O)N)[C@@H](NC[C@@H]([NH+]1CCC[C@@H](C1)C)C)C
### Response:
C[C@H]1CCC[NH+]([C@@H](C)CN[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(Nc1cnc(cc1)Oc1cnccc1)(C(N1C[C@@H](C[C@H](C)C1)C)=O)=O
### Response:
C[C@@H]1C[C@H](C)CN(C(=O)C(=O)Nc2ccc(Oc3cccnc3)nc2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(NC12CC3CC(C1)CC(C2)C3)[C@H](C)N1CC[NH+](CC1)C1CCCC1
### Response:
C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[NH+](C2CCCC2)CC1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CC(C)c1cc(-n2cnc(C(N)=O)c2)nc(C(C)C)n1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc(/C=N/OC)cc1
Fragment 2: [4*]Cc1ccccc1
### Response:
CO/N=C/c1ccc(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CCC(=O)Nc1ccc(Cl)c(NC(=O)NNc2ccc(F)cc2)c1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CC(=O)Nc1cccc(NCc2c[nH]nc2-c2ccc3c(c2)OCCO3)c1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CS(=O)(=O)/[NH+]=C(\C)OC
Fragment 2: [16*]c1ccccc1
### Response:
CO/C(C)=[NH+]/S(=O)(=O)Cc1ccccc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2[N+](=O)[O-])cc1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H](NC(=O)N1CCCN(c2ncccc2C#N)CC1)C(C)(C)C[NH+](C)C
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1sc2c(c1C#N)CCCCC2
### Response:
4 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc([C@H]2S[C@@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCC[NH+](Cc1cccn1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc(OC)cc1
Fragment 2: [1*]C(=O)[C@@H]1CCCN1[5*]
### Response:
COc1ccc(NC(=O)N2CCC[C@H]2C(=O)NCCc2ccccc2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cnn([9*])c1C
Fragment 2: [5*]Nc1nc2ccc([16*])cc2s1
### Response:
CCOc1ccc2nc(NC(=O)c3cnn(-c4ccc([O-])nn4)c3C)sc2c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[NH2+][C@@H](Cc1ccncc1)c1cc(C)c(Br)s1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cc(F)ccc1F
Fragment 2: [5*][NH+](C)C
### Response:
C[NH+](C)[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cc(F)ccc2F)C1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CN(Cc1ccco1)C(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12c(OCC(=O)N2)ccc(S(N2CCC(CC2)C(Nc2cc(OC)c(cc2)OC)=O)(=O)=O)c1
### Response:
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1OC |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cccc(CNC(=O)N2CCC(O)(C(F)(F)F)CC2)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCc1noc(Cn2cnc3c([nH]c4ccc(F)cc43)c2=O)n1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H]1COCCN1c1ccc(Nc2cncc(C(N)=O)n2)cc1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CNC(=O)[C@@H](C)CN(C)[C@H](C(=O)NC(N)=O)c1ccccc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cccc(C(=O)Oc2c(CN3CC[NH+](C)CC3)cc(Cl)c3cccnc23)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
C[C@@H](NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C(=O)N1CCCCC1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1c[nH+]cn1[9*]
Fragment 2: [5*]N1C[C@@H](C)C[C@H]([NH3+])C1
### Response:
CC(C)n1c[nH+]cc1CN1C[C@@H](C)C[C@H]([NH3+])C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1CCN(c2ccc3nnc(C(F)(F)F)n3n2)[C@H]2CCCC[C@H]12
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
COc1cccc(C[C@@H](NC(C)=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CN(C)c1cccc(C(=O)N(Cc2ccsc2)C2CC2)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(Cl)c(C(N[C@H]2CCCN(C(=O)OC)C2)=O)c(ccc1)Cl
### Response:
COC(=O)N1CCC[C@H](NC(=O)c2c(Cl)cccc2Cl)C1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1ccc(C(=O)NC2CCC(C)CC2)cc1F
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(F)cc1
Fragment 2: [5*]N1C[C@@H]([15*])C[C@@H]1C
### Response:
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1Cc2ccccc2C(=O)O1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2cc(C)sc2C)c1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C(C)C
Fragment 2: [12*]S(=O)(=O)c1ccc([16*])cc1
### Response:
CC(C)Oc1ccccc1NS(=O)(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(c(OC)c(OC)ccc1)CN(C)C(=O)NCc1n2c(nn1)CCC2
### Response:
COc1cccc(CN(C)C(=O)NCc2nnc3n2CCC3)c1OC |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
CCCCOc1cccc(NC(=O)N[C@@H]2C[C@H]2C)c1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(S(=O)(=O)N2CCN(Cc3cccc4cccnc34)CC2)c(C)c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCCc1nnc(NC(=O)c2sccc2-c2ccccc2)s1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1nc(CC)c(Br)c(NC)n1
Fragment 2: [16*]c1cscc1C
### Response:
CCc1nc(-c2cscc2C)nc(NC)c1Br |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H](C)N[5*]
Fragment 2: [5*]NCc1ccccc1
### Response:
C[C@@H](NC(=O)C[C@@H](O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1nc(Cl)cc(c1)/C(=N/S(=O)(=O)c1cccc(c1)Cl)[O-]
### Response:
O=S(=O)(/N=C(\[O-])c1ccnc(Cl)c1)c1cccc(Cl)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [13*][C@H]1Nc2ccccc2[C@@H]2C=CC[C@@H]12
Fragment 2: [16*]c1cc2c(cc1Br)OCO2
### Response:
Brc1cc2c(cc1[C@H]1Nc3ccccc3[C@@H]3C=CC[C@@H]13)OCO2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CS(=O)(=O)c1ccccc1N1CCN(c2ccccc2)CC1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C[C@@H](c1sccn1)NC(=O)N[C@H](c1n(C)ccn1)c1ccccc1
### Response:
C[C@H](NC(=O)N[C@@H](c1ccccc1)c1nccn1C)c1nccs1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
N#Cc1ccc(C(=O)N2CC[NH+](CCNC(=O)c3ccc4c(c3)OCO4)CC2)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [13*][C@@H]1C[NH2+]CCO1
Fragment 2: [9*]n1cc[nH+]c1
### Response:
O=C(C[C@@H]1C[NH2+]CCO1)NCCCCn1cc[nH+]c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc(OC)cc1
Fragment 2: [16*]c1ccccc1Cl
### Response:
COc1ccc(NC(=O)C[C@H]2S/C(=N\N=C\c3ccc(-c4ccccc4Cl)o3)NC2=O)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccs1
Fragment 2: [5*]Nc1cc(CC)n([9*])n1
### Response:
CCc1cc(NC(=O)Cc2cccs2)nn1-c1ccccc1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
Cc1ccc2nc(CN3C(=O)OC(C)(C)C3=O)cn2c1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C([O-])c1ccc2c(c1)CCN2C(=O)c1ccn[nH]1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COCCn1c(-c2ccccc2C)nc2c(c(=O)c3ccccc3n2C)c1=O
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(ccc(C[C@@H](O)c2ccc(o2)[C@H]2[C@@H](C)C2)c1)O
### Response:
C[C@H]1C[C@H]1c1ccc([C@H](O)Cc2ccc(O)cc2)o1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1cccc(F)c1[C@H](C)NC(=O)N(C)C[C@H]1CC[NH+](C)C1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCCCC1
Fragment 2: [16*]c1ccsc1
### Response:
Cc1nc(-c2ccsc2)sc1C(=O)N1CCCCC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC([NH+]2[C@@H](CCO)CN(Cc3cccc(c3)O)CC2)CC1
### Response:
OCC[C@H]1CN(Cc2cccc(O)c2)CC[NH+]1C1CCCC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*][C@@H]([NH3+])c1ccn([9*])c1
Fragment 2: [8*]Cc1ccc(OC)c(F)c1
### Response:
COc1ccc(Cn2ccc([C@H]([NH3+])C3CC3)c2)cc1F |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CSC1=N/C(=C/c2ccc3c(c2)OCO3)C(=O)N1CN1CC[NH+](C)CC1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(S(=O)(N(C)C)=O)ccc(cc1)NC(CSc1nnc(n1C)-c1ccncc1)=O
### Response:
CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1nc(C[NH+](C)[C@H](C)c2ccc(C(=O)[O-])o2)cs1
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCC(CC)NC(=O)[C@@H](C)N1CCO[C@H](C(N)=S)C1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1cc([C@H](C)CC(C)=O)ccc1Cl
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc([N+](=O)[O-])c([16*])c1
Fragment 2: [1*]C(=O)[C@@H]1CCCN1[5*]
### Response:
CCN(CC)C(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C(=O)OC)c1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CN(C)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(NC(=O)c2nnc(C(=O)NCc3ccc(N(C)C)cc3)s2)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(Cl)ccc(c1)-c1nc(on1)CNC(=O)CCc1ccc(cc1)C
### Response:
Cc1ccc(CCC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H]1Oc2ccc(NC(=O)CCN3CCSC3=O)cc2NC1=O
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(NC(=O)C[NH+]2C[C@H](C)S[C@@H](C)C2)c(Cl)c1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cccc(C#C)c1
Fragment 2: [1*]C(=O)C[7*]
### Response:
C#Cc1cccc(NC(=O)/C=C(\C)C(C)(C)C)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(=O)(Nc1cc(ccc1Oc1ccccc1)F)N1CCCC[C@H]1CO
### Response:
O=C(Nc1cc(F)ccc1Oc1ccccc1)N1CCCC[C@H]1CO |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ncc(cc1)Oc1ccc(F)cc1)[N-]S(=O)(=O)c1cccnc1
### Response:
O=S(=O)([N-]c1ccc(Oc2ccc(F)cc2)cn1)c1cccnc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(-n2c3c(nc2)cccc3)ccc1[C@H](N(C)c1ccc2nnc(n2n1)C(F)(F)F)C
### Response:
C[C@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)c1ccc2nnc(C(F)(F)F)n2n1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCCn1nnnc1C[NH+](C)C1CCN(c2ccc(F)cc2)CC1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)Oc1ccc(F)cc1NCc1nnsc1Cl
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
S([N-]c1cc2c(cc1)SCC(N2)=O)(=O)(=O)CCC1CC1
### Response:
O=C1CSc2ccc([N-]S(=O)(=O)CCC3CC3)cc2N1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Oc1ccccc1[C@@H]1C=C(c2ccc3c(c2)OCCO3)N=[NH+]1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1ccc(NC(=O)[C@@H]2CC(=O)n3c(nc4ccccc43)S2)cc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2C)c1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1Cl
Fragment 2: [5*]Nc1cccc(Cl)c1C
### Response:
Cc1c(Cl)cccc1NC(=O)[C@@H](C)[S@](=O)Cc1ccccc1Cl |
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