task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(C1CCCC1)N1CCC[C@H]1Cn1nc(-c2cccs2)ccc1=O
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [12*]S(=O)(=O)c1cc(N)c(C)cc1OC
Fragment 2: [15*][C@H]1CCCC[C@H]1C
### Response:
COc1cc(C)c(N)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CCO[C@H](C)n1cc(I)cn1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cn(C)nc1[14*]
Fragment 2: [16*]c1ccccc1
### Response:
Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2O3)c(-c2ccccc2)n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1(N(C)C(=O)NC[C@H]2CCC[NH+](C2)Cc2sccc2)CCS(=O)CC1
### Response:
CN(C(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)C1CCS(=O)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1ccc(CC(=O)Nc2ccc(OC)nc2)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
O=C(N/N=C/c1ccc(O)cc1)[C@@H]1Oc2ccccc2O[C@H]1c1ccccc1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1
Fragment 2: [4*]CC1CCN([5*])CC1
### Response:
C[C@@H]1OCC[C@H]1C(=O)N1CCC(COc2ccccc2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(F)ccc1[C@H]1c2c(n(-c3cc(ccc3)OC)cn2)N=C(O)C1
### Response:
COc1cccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(F)cc2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1nc2ccccc2s1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
O=C([C@@H]1[N-]C(C2=CC=C[C@H]3N=CC=C23)=NO1)N1CCN(c2ccc(F)cc2)CC1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@H](C)c1ccc(Br)s1
Fragment 2: [8*]CC(=O)[O-]
### Response:
C[C@H](c1ccc(Br)s1)[NH+]1CCC(CC(=O)[O-])CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Nc1ccnc(Cl)c1)C(=O)NC(c1ccccc1)c1ccccc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
c1csc([C@@H]2CN(Cc3cnc(C4CCC4)s3)CCO2)c1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a ether group?
C[C@@H]([NH2+][C@H](C)[C@@H]1COc2ccccc21)c1cnn(C)c1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCn1cc(Br)c(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)n1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc(NC(=O)/C(C#N)=C/C=C/c2ccc(C#N)cc2)c1C
### Response:
5 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC
Fragment 2: [16*]c1ccc(S(N)(=O)=O)cc1
### Response:
CCOc1ccc(C(=O)/C=C/Nc2ccc(S(N)(=O)=O)cc2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NC1(C#N)CCCCC1
Fragment 2: [1*]C(=O)C[8*]
### Response:
Cc1cccc(-c2nc(CC(=O)NC3(C#N)CCCCC3)cs2)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(F)cc1NC(=O)N[C@H]1CCCn2nc(C(C)C)nc21
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[C@@H]1C[C@@H](C)C[NH+](CCCSc2ccccc2)C1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCc1ccc(-c2ccc3nnc(SCC(=O)Nc4cccc(F)c4)n3n2)cc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CN(CC1)C(=O)[C@@H]([NH2+][C@H]1[C@H]2[C@H]3CCC[C@@H]3[C@H](C2)C1)C(C)C
### Response:
CC(C)[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@H]21)C(=O)N1CCCC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C1c2ccccc2N[C@H](CSC2=NC=NC3=NC=N[C@@H]32)N1c1ccc(Cl)cc1
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC1=NN(C(=S)Cc2ccccc2)[C@@](C)(O)C1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CC(C)OCCCNC(=O)c1ccccc1N1C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@@H](C)N2C1=O
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CC(C)[C@H](O)CCNC(=O)C(=O)Nc1ccn(-c2ncccc2Cl)n1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*][C@](C)(Cl)Br
Fragment 2: [13*][C@@H]1Cc2c(C)[nH+]c3ccccc3c2O1
### Response:
Cc1[nH+]c2ccccc2c2c1C[C@@H]([C@](C)(Cl)Br)O2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C([C@@H]1CCCO1)NC(=O)[C@@H]([NH+]1CCC(C(F)(F)F)(CC1)O)C
### Response:
C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(O)(C(F)(F)F)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)[C@@H](Sc1nnc(N)s1)C(=O)N[C@@H]1CCCC[C@H]1C
### Response:
4 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCN(CC)C(=O)C[NH+]1CCC(c2nc(N(C)C)ncc2-c2cccc(Cl)c2)CC1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C(CCCOc1ccc(F)cc1F)Nc1ccc(N2CCOCC2)nc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
NC(=O)c1ccccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C=CC[NH+]1C=CC(=C/C=C(/C#N)C(=O)OCC)C=C1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+]1CCCC1
Fragment 2: [5*][NH+](C)C
### Response:
C[NH+](C)Cc1cccc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NCCOc1ccccc1)N1CCN(c2nccs2)CC1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(Br)c(C=O)c1NC(C)=O
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc(N[5*])n(C)n1
Fragment 2: [5*]NCc1ccccc1OC
### Response:
COc1ccccc1CNC(=O)c1cc(NC(=O)C2CCCC2)n(C)n1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC(O)(C(F)(F)F)CC1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(NC(CSc2nc(C)cc(C(F)(F)F)n2)=O)cc2OCCOc2c1
### Response:
Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CC[C@@H]([15*])[C@@H]([NH3+])C1
Fragment 2: [1*]C(=O)O[3*]
### Response:
Cc1ccc(F)cc1[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1cccc(Cl)c1
Fragment 2: [16*]c1cccc(Cl)c1
### Response:
O=C(CSc1ncn[nH]1)NCCOc1cccc(Cl)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cccc([C@H](C)N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCCc1ccc(C(=O)NC[C@]2(O)CCSC2)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(C)C(=O)Cc1ccc(N[C@H]2CCCCC2(C)C)cc1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(Nc1cccnc1Cl)C(=O)N[C@@H]1CCCC[C@H]1n1cccn1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccccc1
Fragment 2: [1*]C(=O)CCN[5*]
### Response:
CN(C(=O)NCCC(=O)N1CCCC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CCn1c(C)cc(C(=O)NCC(=O)NCC(C)C)c1C
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(OC)c(I)c1
Fragment 2: [6*]C(=O)N/N=C(/C)CC(N)=O
### Response:
COc1ccc(C(=O)N/N=C(/C)CC(N)=O)cc1I |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCC(=O)Nc1cccc(NC(=O)C(=O)NC(CC)CC)c1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[C@@H](O)C(=O)NCc1cccnc1Oc1ccccc1OC
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [12*]S(=O)(=O)c1ccc(OC)cc1
Fragment 2: [16*]c1ccc(F)cc1
### Response:
COc1ccc(S(=O)(=O)NC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccs1
Fragment 2: [5*]N(C)C[8*]
### Response:
CN(Cc1csc(-c2cccs2)n1)C(=O)[C@H]1CC=CCC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(CCC#N)Cc1ccco1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(-n2nnnc2S[C@@H](C)C(=O)c2cc(C)c(C)cc2C)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
O=C(c1cnn2c(C(F)(F)F)cc(-c3cccc4ccccc34)nc12)N1CC[NH+]2CCC[C@@H]2C1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C1=C([O-])Nc2ccccc2O1
Fragment 2: [5*]Nc1ccc(S(N)(=O)=O)cc1
### Response:
NS(=O)(=O)c1ccc(NC(=O)C2=C([O-])Nc3ccccc3O2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C([C@@H]([NH+]1CCC(C)CC1)CNC(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1)(C)C
### Response:
CC1CC[NH+]([C@@H](CNC(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)C(C)C)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(ccc(c1)[C@H](NC([C@H](C)SCc1c(Cl)n(C)nc1C)=O)C)Cl
### Response:
Cc1nn(C)c(Cl)c1CS[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Clc1cccc(-c2nnc(Cn3nccc3-c3ccncc3)o2)c1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCCn2c(C1)nnc2[C@@H]1CCCN1C([C@H](C)CCOC)=O
### Response:
COCC[C@@H](C)C(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
Cc1cccc(C)c1NC(=O)C(=O)NCc1ccccc1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccccc1CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Fc1ccccc1-c1cnc(CNC2CC[NH+](Cc3ccccc3)CC2)s1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2
Fragment 2: [5*]N([5*])CC
### Response:
CCN(Cc1ccccn1)C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CCC[C@H]1[NH2+]CCN(C1)Cc1ccc(OCC)cc1
### Response:
CCC[C@@H]1CN(Cc2ccc(OCC)cc2)CC[NH2+]1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [11*]Sc1ccc(C#N)c([N+](=O)[O-])c1
Fragment 2: [16*]c1ccc(C#N)c([N+](=O)[O-])c1
### Response:
N#Cc1ccc(Sc2nnc3ccccn23)cc1[N+](=O)[O-] |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)[C@@H](NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccc(F)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(F)ccc(C[NH+]2CCC(CC2)C(=O)Nc2ccc(OCC=C)cc2)cc1
### Response:
C=CCOc1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]Cc1ccccc1
Fragment 2: [16*]c1ccccc1
### Response:
Cc1nc2ncnn2c(N2CCC[C@H](C)C2)c1Cc1ccccc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1csc(N(C(=O)c2ccc(-n3cccn3)cc2)c2ccccc2)n1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC(=O)N[C@H](C)c1ccc(-c2csc(NC(=O)[C@@H](C)Oc3cc(C)ccc3Cl)n2)cc1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(cccc(c1)NC(C(C)C)=O)C(Nc1ccc(cc1)Cl)=O
### Response:
CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cc2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C#N)N(Cc1c(ccs1)Br)CC(=O)OC
### Response:
COC(=O)CN(CC#N)Cc1sccc1Br |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
C[C@H]1[C@@H](NC(=O)Cc2c[nH]c3ccccc23)CCC[C@@H]1C
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@](C)([NH3+])c1nc(-c2ccc(C)c(F)c2)no1
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1(ncc(/C=C/C(c2nnn(-c3ccccc3)c2C)=O)c1)C
### Response:
Cc1c(C(=O)/C=C/c2cnn(C)c2)nnn1-c1ccccc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(C)c2c(C)c(C(=O)N[C@H](C)c3ccc(NC(=O)C4CC4)cc3)oc12
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]1CC[C@@H](C)[C@@](C[NH3+])(Nc2ccc(Cl)c(Br)c2)C1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nc2nc(NC(=O)[C@H]3CCCO3)nn2c(O)c1Cc1ccccc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(S[C@@H](C)C(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CSC[C@H](C)C(=O)/N=c1\[nH]c2ccccc2n1C1CCCC1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC1([15*])CCOCC1
Fragment 2: [5*]NS(=O)(=O)c1ccc(OC)c(OC)c1
### Response:
COc1ccc(S(=O)(=O)NCC2(c3c(F)cccc3Cl)CCOCC2)cc1OC |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCc1coc([14*])n1
Fragment 2: [1*]C(=O)C[7*]
### Response:
O=C(/C=C/C1CC1)OCc1coc(-c2ccccc2)n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12c(N(CC(N3CCC4(CC3)C(NC(N4)=O)=O)=O)C(=O)CO2)cccc1
### Response:
O=C1NC(=O)C2(CCN(C(=O)CN3C(=O)COc4ccccc43)CC2)N1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1nc(Cl)ccc1Cl
Fragment 2: [5*][NH+]([5*])CC
### Response:
CC[C@@H](C)C[NH+](CC)Cc1nc(Cl)ccc1Cl |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]Cc1ccc([14*])o1
Fragment 2: [14*]c1nc2cc(OC)ccc2[nH]1
### Response:
COc1ccc2[nH]c(/C(C#N)=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)nc2c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cccc1F)-c1occ(n1)CSCc1nc(on1)CCC
### Response:
CCCc1nc(CSCc2coc(-c3cccc(F)c3)n2)no1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N1[C@@H](CCCC1)C)(CSc1n(c(=O)c2c(ccs2)n1)-c1ccc(F)c(C)c1)=O
### Response:
Cc1cc(-n2c(SCC(=O)N3CCCC[C@H]3C)nc3ccsc3c2=O)ccc1F |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1csc([C@H](C)NC(=O)/C=C/c2cc(Br)cs2)n1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CCc1c(cn(C)n1)NC(=O)N1[C@H](C)C[NH+](CCC1)Cc1ccccc1
### Response:
CCc1nn(C)cc1NC(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC[NH+]([C@@H](C)c2ccc(F)cc2F)[C@@H](CN2CCOCC2)C1
### Response:
C[C@@H](c1ccc(F)cc1F)[NH+]1CCCC[C@@H]1CN1CCOCC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1noc(C)c1CN(C)C(=O)c1cccc(C[S@](C)=O)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[C@@H](C)C[8*]
Fragment 2: [5*]N([5*])CC
### Response:
CCN(CC(C)(C)O)C(=O)C[C@@H](C)Cc1ccc(Cl)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccccc1C(=O)N[C@@H](C(C)C)C(Nc1scnn1)=O
### Response:
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1nncs1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)CO[C@H]1CC[NH+](Cc2c[nH]nc2-c2c(F)cccc2F)C1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC(C)CC1=NN(C(=O)c2ccc(F)cc2)[C@](O)(C(F)(F)F)C1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](n3cccn3)C2)c1
### Response:
1 |
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