task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(C[NH+]1CCC(O)(Cn2cnc3ccccc3c2=O)CC1)OC[C@@H]1CCCO1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@]23CCc2ccccc23)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC(=O)N1CCc2[nH]c3ccc(C(=O)N4CCCC4)cc3c2C1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(C)cc2)CC1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(C)c(OCC)c2)C1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a halide group?
NC(=O)CNC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
COc1cccc2cc(C(=O)NCCOc3ccc(F)cc3)c(=O)oc12
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a halide group?
O=C(NC[C@H]1CC[C@@H](C(=O)[O-])O1)c1ccc(Br)c(F)c1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C[C@@H](O)C[8*]
Fragment 2: [3*]OCC
### Response:
CCCn1c(C[C@H](O)COCC)nc2ccccc21 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H](C)[NH+](CC)CCCC[NH3+]
### Response:
4 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccccc1CSC1=NS(=O)(=O)c2ccccc2N1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)[C@@H]1C[NH+]([C@@H](C)c2nc(-c3cccnc3)no2)CCS1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CN(CCc1ccccc1)C(=O)NC[C@H]1CCCO1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
COc1ccc([C@H]([NH2+]Cc2csc(-c3ccsc3)n2)C(C)C)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccnc1C[C@@H](Br)c1cccc(OC(F)F)c1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCC(=O)NCC(=O)Nc1ccc(COC(C)(C)C)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
N#C/C(=N/Nc1ccc(S(=O)(=O)N2CCOCC2)c(Cl)c1)c1nc2ccccc2[n-]1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCc1cscc1C
Fragment 2: [1*]C(=O)c1sccc1N
### Response:
Cc1cscc1CNC(=O)c1sccc1N |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N([5*])C(C)C
Fragment 2: [4*]Cc1ccc(OC)c2ccccc12
### Response:
CNc1ncccc1C(=O)N(Cc1ccc(OC)c2ccccc12)C(C)C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)N1CC[C@@H](S([12*])(=O)=O)C1
Fragment 2: [5*]NCC
### Response:
CCNS(=O)(=O)[C@@H]1CCN(C(=O)NC2CC=CC2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(Cl)c2c(c(cc1Cl)N)cccn2
### Response:
Nc1cc(Cl)c(Cl)c2ncccc12 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1cc[nH]c1
Fragment 2: [5*][NH2+]Cc1cc[nH]c1
### Response:
c1ccc(COCC[NH2+]Cc2cc[nH]c2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1cc(Cl)cn1
Fragment 2: [16*]c1ccccc1C
### Response:
Cc1ccccc1-c1noc(CN2CCN(Cn3cc(Cl)cn3)CC2)n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[NH2+](C1CCC(NC(=O)c2cccs2)CC1)C
### Response:
C[NH2+]C1CCC(NC(=O)c2cccs2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1(C)cnc2cc(-c3ccc(Cl)cc3)sc2c1=O
### Response:
Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(Nc1cc(C)ccc1)C(=O)Cn1c2c(cc(cc2)OC)cc1
### Response:
COc1ccc2c(ccn2CC(=O)NNc2cccc(C)c2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc2oc(-c3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3O)nc2c1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCOc1ccc(F)c(C(=O)NCc2ccnc(OC(C)(C)C)c2)c1F
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CN[C@](CSc1ccncc1)(C(N)=O)c1ccccc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(C)c(-c2nc(NC(=O)Cc3ccccc3)sc2C)c1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1(CCN(C(=O)NC2CC2)CC1)C(=O)N[C@@H]1CC(C[C@@H](C1)C)(C)C
### Response:
C[C@@H]1C[C@H](NC(=O)C2CCN(C(=O)NC3CC3)CC2)CC(C)(C)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(C)(C(OC)=O)C[NH2+][C@@H]1C[C@H]1c1ccccc1
### Response:
COC(=O)C(C)(C)C[NH2+][C@@H]1C[C@H]1c1ccccc1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
COc1ccc2c(c1)SC(=O)C2=O
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1cn2ccccc2n1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCC
Fragment 2: [8*]C(F)(F)F
### Response:
CCCSc1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)CC(=O)N2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc(c(c1)Cl)NC(=O)[C@H](S(=O)(CC)=O)C
### Response:
CCS(=O)(=O)[C@H](C)C(=O)Nc1ccccc1Cl |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
C[C@@H]1CC(C(=O)N2CCCSc3ccc(Cl)cc32)C[C@H](C)O1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCCC[C@H]1CCC[C@@H]1NC(=O)CS(=O)(=O)CC
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)c2cccc(Br)c2)cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C[NH+](CCN1C(=O)c1ccc2[nH]cnc2c1)CC1CC1
### Response:
O=C(c1ccc2[nH]cnc2c1)N1CC[NH+](CC2CC2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OC(F)F
Fragment 2: [5*]Nc1ccc([16*])c(F)c1
### Response:
CC(=O)c1ccc(OCC(=O)Nc2ccc(OC(F)F)c(F)c2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
O=Cc1ccc(-c2cc(C(F)(F)F)cc(Cl)n2)cc1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C(NCCc1ccccc1Cl)N[C@H](CO)c1ccco1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
NC(=O)c1cccc(CNC(=O)Cc2c(F)cccc2F)c1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCNC(=O)N1CCc2ccc(NC(=O)N3CCOC[C@@H]3CC(C)C)cc21
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCN(C[C@H]1CCOC1)C(=O)c1cc(C)n(-c2ccc(OC)cc2)n1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NS(=O)(=O)C[8*]
Fragment 2: [4*]Cc1ccccc1[16*]
### Response:
O=S(=O)(CC1CCC1)NCc1ccccc1-n1cccn1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](NC(=O)N[C@@H]1C[C@@H]1c1ccccc1F)[C@@H](O)c1ccc(Cl)cc1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(CNC(=O)c2ccc(s2)NC(C2CC2)=O)ccc(C)cc1
### Response:
Cc1ccc(CNC(=O)c2ccc(NC(=O)C3CC3)s2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]1CN(CC[C@@H]2CSCC[NH2+]2)CC(C)(C)O1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc(OC)cc1
Fragment 2: [4*]C(C)C
### Response:
COc1ccc(NC(=O)NCc2ccc(COC(C)C)cc2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](O)CCC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br
### Response:
5 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1cccc(/C=C/C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)c1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
N#Cc1ccc(-c2ccc(Oc3ccc4nnnn4n3)cc2)cc1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1[nH+]ccn1C
Fragment 2: [8*]C[C@]([8*])(C)[NH3+]
### Response:
COc1ccc([C@@](C)([NH3+])Cc2[nH+]ccn2C)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C=C(C)C[NH+]1CCN(c2cc(C)nc3c(-c4ccccc4Cl)c(C)nn23)CC1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N#C[C@H](OC(CCNC(=O)C1CCCCC1)=O)CC
### Response:
CC[C@H](C#N)OC(=O)CCNC(=O)C1CCCCC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [12*]S(=O)(=O)[C@@H]1C=C[C@H]([C@@H]2C=CN=N2)O1
Fragment 2: [1*]C(=O)[C@@H]1CCCN([5*])C1
### Response:
COc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)[C@@H]3C=C[C@H]([C@@H]4C=CN=N4)O3)C2)c1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCS(=O)(=O)C[C@@H](C)NC(=O)c1c(F)cccc1F
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CN([5*])[5*]
Fragment 2: [3*]OCC
### Response:
CCOC(=O)CN(CC(F)(F)F)C(=O)[C@H]1CCO[C@H]1C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)NCCCN(C)C(=O)C1C[C@H](C)O[C@@H](C)C1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCn1c(CNc2cccc(C)c2)nc2ccccc21
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)cc1
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCN(CC)C(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@@H]([8*])c1ccccc1
Fragment 2: [5*]N[C@H]([8*])c1noc([14*])n1
### Response:
CCCc1nc([C@H](NC(=O)c2ccsc2)c2ccccc2)no1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(C1=C([O-])C(=O)N(c2nncs2)[C@@H]1c1ccc(F)cc1)c1ccccc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C1N[C@@H](c2ccccc2)[C@@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(OCC(=O)N(CC)c2scc(-c3ccc(cc3)C)n2)cccc1
### Response:
CCN(C(=O)COc1ccccc1)c1nc(-c2ccc(C)cc2)cs1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ocnc1CNC(=O)NCc1[nH+]ccn1CC(C)C
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
COc1cc(OC)c(OC)cc1/C=C(/CO)C(C)C
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a halide group?
O=C(NCc1cccc(Cl)c1)c1cn(-c2ccccc2)nc1-c1cccnc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCC[C@@H]([15*])C1
Fragment 2: [5*]Nc1ccc([16*])cc1
### Response:
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)Nc2ccc(C(N)=O)cc2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C1N(CCc2ccccc2)C[C@@H]2C[C@@H](c3ccc(OC(F)F)cc3)[NH+]3CCC[C@@]123
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1[C@H](C)CCC[C@@H]1NS(=O)(=O)/C=C/c1ccccc1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc(COc3ccccc3)cc2)CC1
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCCCCN(C)c1nc(C(C)C)c(CO)s1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(c1cc(ccc1N(C)C)S(=O)(N(C)C)=O)C(NCc1occc1)=O
### Response:
CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NCc1ccco1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CSc1nnc(CN2CC[C@@H]3CC[C@H](C2)[NH+]3C)s1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(c(ccc1)Oc1ccc(OC)cc1)C#N
### Response:
COc1ccc(Oc2ccccc2C#N)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@H](C(=O)N1CCC([NH2+][C@H](C)c2cccnc2)CC1)c1ccccc1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
C[C@@H](Sc1nnc([O-])n1CCc1ccccc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C1N(C)C[C@@H](CC1)[NH2+]C[C@@H]1CN(S(=O)(C)=O)CCC1
### Response:
CN1C[C@H]([NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)CCC1=O |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCCc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(OC)c(OC)c2)no1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1ccc(C)cc1
Fragment 2: [5*]Nc1ccc([16*])cc1
### Response:
CCCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(C)cc3)cc2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc(OC2CCCC2)c(c1)CNC(=O)N1CCN(c2ncccn2)CC1
### Response:
O=C(NCc1ccccc1OC1CCCC1)N1CCN(c2ncccn2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(C)COC[C@H](C)[NH2+][C@@H]1CCOc2ccc(cc12)F
### Response:
CC(C)COC[C@H](C)[NH2+][C@@H]1CCOc2ccc(F)cc21 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH+]1CCc2nc(C3CCN(C(=O)[C@H]4OCCc5ccccc54)CC3)ncc2C1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(occc1)CNC(=O)[C@@H](NC([C@H]1Cc2c(cc(C)c(C)c2)O1)=O)C
### Response:
Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@@H](C)C(=O)NCc1ccco1)C2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2F)CCO1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1nc2ccc(Br)cn2n1
Fragment 2: [4*][C@@H](C)c1cccs1
### Response:
C[C@H](Nc1nc2ccc(Br)cn2n1)c1cccs1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)COC3)C1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1O[C@@H](CN(Cc2occc2)C(=O)NCc2ccc(cc2)C#N)CC1
### Response:
N#Cc1ccc(CNC(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(NN1CCCCC1)[C@H]1C[C@@H]1c1ccc(F)cc1F
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C[NH3+])n1c(nnc1[S-])C
### Response:
Cc1nnc([S-])n1CC[NH3+] |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(OC)[C@H]([NH3+])CCc1cccs1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1nnc(C)s1
Fragment 2: [1*]C(=O)C[8*]
### Response:
Cc1nnc(NC(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2ccccc2O3)s1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CC(C)c1cc(N2CCC(OC[C@@H]3CCCO3)CC2)nc(C(C)C)[nH+]1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CO[C@H](C)C(=O)Nc1ccc(OC(C)C)cc1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(=O)N1CC[C@H]([NH2+][C@@H](Cc2ccccc2)C2CCCCC2)C1
### Response:
1 |
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