task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCNc1cc(C)nc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
NC(=S)c1c(F)cccc1N[C@@H]1CCCc2ccccc21
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cc1ccc(C)c(NC(CN2CCN(c3ccc(C)cc3)[C@@H](C)C2)=O)c1
### Response:
Cc1ccc(N2CCN(CC(=O)Nc3cc(C)ccc3C)C[C@@H]2C)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H]1C[NH+](CCC(=O)[O-])C[C@@H]1C
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C(C)(C)C
Fragment 2: [4*][C@@H]([8*])c1nnnn1[9*]
### Response:
COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3ccc(F)cc3)CC2)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN(C)C(=O)CN(Cc1ccoc1)CC(F)(F)F
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CCO/C([O-])=C1\C(=O)N=C(SC)[C@@H](C#N)[C@H]1c1ccccc1OC
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc(S(C)(=O)=O)cc1
Fragment 2: [5*]Nc1ccc(F)c(F)c1F
### Response:
CS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC1=C2C(=O)N=C([C@@H](C)S[C@@H]3N=CCN3C3CC3)N=C2S[C@H]1C
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CCO[C@H]1C[C@@H](NC(=O)N2CCOC[C@@H]2CC)C12CCC2
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc([16*])c(OC)c1
Fragment 2: [6*]C(C)=O
### Response:
COc1cc(C(C)=O)ccc1OCC(=O)NC1CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCOCC1
Fragment 2: [14*]c1sccc1C
### Response:
CC1=C(C(=O)N2CCOCC2)[C@H](c2sccc2C)NC(=S)N1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCOc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C[NH+](Cc2ccccc2)CC4)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1nc(N2CCC([C@]3(Cc4ccc(F)cc4)NC(=O)NC3=O)CC2)c(C)c[nH+]1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c2c(ncnc2n(n1)CC(OC)=O)NCc1ccc(O)c(c1)F
### Response:
COC(=O)Cn1ncc2c(NCc3ccc(O)c(F)c3)ncnc21 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cc2c(cc1Cl)NC(=O)CO2
Fragment 2: [4*]Cc1ccc2c(c1)OCO2
### Response:
C[C@@H]1[C@H](C)CCC[C@@H]1N(Cc1ccc2c(c1)OCO2)C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc2c(c1C)[C@H](N[C@@H](C)[C@H](O)c1ccc(F)c(F)c1)CCO2
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[NH3+][C@H](Cc1cnc2-c1ccc[nH]2)C(=O)[O-]
### Response:
[NH3+][C@H](Cc1cnc2[nH]cccc1-2)C(=O)[O-] |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCC(=O)N[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1(C)c2ncc(cc2c(C)n1)NC(C(=O)N1CCC2(C1)CCCCC2)=O
### Response:
Cc1nn(C)c2ncc(NC(=O)C(=O)N3CCC4(CCCCC4)C3)cc12 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN[C@@]1(C#N)CC[C@H]([NH+](CCC(C)C)C2CCCC2)C1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cccc(F)c1
Fragment 2: [5*]NC1CC1
### Response:
O=C(COC(=O)c1cccc(F)c1)NC1CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(-n2nnc(C(=O)N3CCOCC3)c2CSc2nc(C)cc(C)n2)cc1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H](NC[C@H]1COc2ccccc21)c1cccc(Cl)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc2c(C[NH2+]CCC2)cc1C(C)C
### Response:
CC(C)c1ccc2c(c1)C[NH2+]CCC2 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccc(N(C)C)cc2)C2=C(C[C@H](C)CC2=O)N1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C([O-])c1ccc(-c2c(F)cccc2F)cn1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
C[C@@H]1CCCC[C@H]1OCC(=O)N[C@@H](C#N)C(C)(C)C
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N([5*])c1ccccc1
Fragment 2: [12*]S(=O)(=O)c1ccc(OC)cc1
### Response:
COc1ccc(S(=O)(=O)N(C[C@H](C)O)c2ccccc2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CC(=O)Nc1ccc(/C=C/C([O-])=N/S(C)(=O)=O)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC2(O)CCC(C(C)(C)C)CC2)cc1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c2[C@H]3c4c(OC[C@@H]3COc2ccc1)[nH]c(=O)n(c4=O)C(C)C
### Response:
CC(C)n1c(=O)[nH]c2c(c1=O)[C@@H]1c3ccccc3OC[C@H]1CO2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)(C)c1cc2n(n1)C[C@@](C)(C(=O)NCc1ccccc1)N(c1ccc(F)cc1)C2=O
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cc(F)ccc1F
Fragment 2: [16*]c1cccnc1
### Response:
O=C(Nc1cc(F)ccc1F)c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C(=O)N([C@H](CC)Cc1ccc(cc1)C)C)c1nn2c(nc(C)cc2C)n1
### Response:
CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Cc1nc2nc(C)cc(C)n2n1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COCc1ccccc1C(=O)Nc1cccc2ccccc12
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CN(CC[NH+]1C)C(=O)c1cc(C#N)ccc1
### Response:
C[NH+]1CCN(C(=O)c2cccc(C#N)c2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1CN(Cc2cnc[nH]2)C[C@@H](C)S1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C(C)(C)C
Fragment 2: [5*]N(C)C[8*]
### Response:
CN(Cc1cccc(OC(F)(F)F)c1)C(=O)Nc1cnn(C(C)(C)C)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc(C)cc1OC
Fragment 2: [1*]C(=O)[C@@H]([4*])C
### Response:
CCC(CC)NC(=O)[C@H](C)Nc1ccc(C)cc1OC |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(Nc1ccccc1)NC1CCN(C(=O)[C@H]2CCCC[C@H]2C(F)(F)F)CC1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
NC(=O)Cn1cc[nH+]c1C1CCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)N(Cc1ccccc1)C(=O)c1ccc2nsnc2c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1ccccc1Nc1nc(N)nc(C[NH+](C)C2CCCCC2)n1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H](CCl)C[NH+](C)[C@@H](C)Cc1cccs1
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cnc(NC(=O)Cn2nc(C)c3ccccc3c2=O)s1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C([O-])c1ccccc1-c1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=O)N=C2[O-])o1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(F)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C=CC[NH2+]CC(=O)Nc1ccc(SC2CCCC2)cc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cc(OC)c([C@@H](C)[NH2+]C[C@H](O)C2CCOCC2)cc1Cl
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
C[C@H](NC(=O)N1CCC[C@H](O)C1)c1ccccc1Cl
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(c(cc1)O)NC(C1CC[NH+](CC1)CC1CCCCC1)=O
### Response:
O=C(Nc1ccccc1O)C1CC[NH+](CC2CCCCC2)CC1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC[NH+](CCc1nccs1)C[C@@H]1C[C@@H]1c1ccccc1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CC[NH+](CC)C1([C@@H](N)Cc2ccc(F)cc2F)CCCC1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]1(C(=O)N)COCCN1C(=O)c1oc2c(c1)cc(cc2)F
### Response:
NC(=O)[C@@H]1COCCN1C(=O)c1cc2cc(F)ccc2o1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cn1c(CNC(=O)c2ccc(Br)cc2)nc2ccccc21
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(CS[C@H]1CCCc2ccccc21)NC1CC[NH+](C2CC2)CC1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1nc(C2CC2)n2ccccc12
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
NS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2csc(-c3ccc(F)cc3)n2)c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nc(-c2ccc(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)[nH+]c2)no1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC[C@H]1CCCN(c2ncnc3nc(N)ccc23)C1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CCSCC[C@H](C)NC(=O)c1ccc2c(c1)NC(=O)CN2CC
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCOc1ccc(CC(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1)c1cccnc1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCc1ccc(CN(C)C(=O)c2cc3ccccc3[nH]2)cc1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ester group?
O=C1N(CC2CC2)[C@@H](c2cnc(-c3cccs3)s2)NC12CCCC2
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H]1CCC[NH+](CCNC(=O)c2cc(Cl)c[nH]2)C1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
N#C/C(=C\c1cnn(Cc2ccccc2Cl)c1)C(=O)NC[C@@H]1CCCO1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(OC)c(OC)c1
Fragment 2: [1*]C(=O)[C@H]1CC(=O)N(C[8*])/C(=N/c2ccccc2)S1
### Response:
COc1ccc(CN2C(=O)C[C@H](C(=O)Nc3ccc(F)cc3)S/C2=N\c2ccccc2)cc1OC |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C([O-])[C@@H]1CC2(CCN(C(=O)CCCn3cc[nH+]c3)CC2)C[NH2+]1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](NC(=O)/C=C/c1cccc2ccccc12)c1ccccc1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccsc1CN(CC[NH+](C)C)C(=O)c1ccc2c(c1)nnn2C
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccccc1N1CCN(CC(=O)Nc2cccc(Cl)c2Cl)CC1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC
Fragment 2: [16*]c1ccc([16*])c(C)c1
### Response:
CCOc1ccc(NC(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)cc1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(NCc1sccc1)c1ccc(N(C)C)c([N+]([O-])=O)c1
### Response:
CN(C)c1ccc(C(=O)NCc2cccs2)cc1[N+](=O)[O-] |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cccc([16*])c1
Fragment 2: [3*]OC(F)F
### Response:
O=C(OC[C@H]1CC=CCC1)c1cccc(OC(F)F)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc([16*])cc1
Fragment 2: [1*]C(=O)N1CCN([5*])CC1
### Response:
COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CCN(c3ncccn3)CC2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC(C)NC(=O)CCNC(=O)c1cnc(Cc2ccc(F)cc2)s1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=c1[nH]c(N/N=C/c2ccccc2)nc2c1C1(CCCC1)Cc1ccccc1-2
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C([O-])[C@H]1CCCN(c2ncccn2)C1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1nc2cc(OC)cc(Br)c2o1
Fragment 2: [16*]c1ccc(OC)cc1
### Response:
COc1ccc(-c2nc3cc(OC)cc(Br)c3o2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(ccc(c1)S(=O)(=O)Nc1sc(nn1)CC)NC(=O)c1cc(ccc1)F
### Response:
CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)s1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC1(C)c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccccc3Cl)CC(=O)N21
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CCc1cc(Br)ccc1NC(=O)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3C2
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cn1cc(NC(=O)[C@H]2CCCc3sccc32)c(-c2ccccc2)n1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CNC(=O)c1ccc(Cl)c(NC(=O)C2(C#N)CCCC2)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
Cc1cccc(C(=O)NNC(=O)[C@@H](C)[NH+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](NC(=O)N1CCc2ccccc21)c1nc(Cc2ccccc2)no1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1Cl
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(c1ccccc1F)OC1CCN(CC1)C(=O)c1n(CC)nc(c1)C(C)C
### Response:
CCn1nc(C(C)C)cc1C(=O)N1CCC(OCc2ccccc2F)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc([C@@H]2CCCN(C(=O)CCCn3nnnc3CN3CCOCC3)C2)c1
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Fc1ccc(CSc2nnc(Cc3cccs3)n2C2CC2)c(F)c1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCN(Cc1ccccn1)Cc1nccn1C(F)F
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H]1CC[C@H](CNC(=O)[C@]2(C)CCCO2)C[NH2+]1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(Cl)cc1N1CCN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)CC1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(OC[C@H](O)Cn2cnc3ccc(Br)cc3c2=O)cc1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC[C@H](C)C[NH2+]CC(C)(C)S(C)(=O)=O
### Response:
5 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
O=C(Nc1cc(F)ccc1Cl)N[C@@H]1CCCOc2ccccc21
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@@H](C)C(=O)/N=c1\sccn1[9*]
Fragment 2: [16*]c1ccccc1F
### Response:
COCCO[C@@H](C)C(=O)/N=c1\sccn1Cc1ccccc1F |
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