task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]([NH2+]C[C@H]1CCC[C@@H]1NS(C)(=O)=O)c1cncc(F)c1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC1(C)C[C@@H](NCc2cccnc2OCC(F)F)c2ccc(F)cc2O1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(OCC(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCC(/C=C(\[O-])N2CCCCC2)CC1
Fragment 2: [12*]S(=O)(=O)c1c(C)noc1C
### Response:
Cc1noc(C)c1S(=O)(=O)N1CCC(/C=C(\[O-])N2CCCCC2)CC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCCOc1ccc(CN2CCOC(C)(C)C2)cc1OC
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
O=C(NCc1ccccc1Cl)[C@@H]1CCCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)C1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc(-c2noc(CN(C)C(=O)Cc3ccccc3)n2)c1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc(C(Nc2sc3c(c(Cl)c(Cl)cc3)n2)=O)cc1
### Response:
O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccccc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(O)c(OC)c1
Fragment 2: [3*]OCC
### Response:
CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(O)c(OC)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCN([5*])CC1
Fragment 2: [16*]c1ccccc1
### Response:
CCC([NH3+])(CC)CN1CCN(c2ccccc2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)NCCCN(C)C(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cccc(CNC(=O)[C@@H]2CCO[C@H]2C)c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(=O)n(CC(=O)N2Cc3nc4c(C)c(-c5cccs5)nn4c(O)c3C2)n1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(F)c1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
O=C(C[C@H](O)c1ccccc1)N[C@H](c1nccs1)C1CC1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)NNC([6*])=O
Fragment 2: [5*]N[C@H](C)CCCO
### Response:
C[C@H](CCCO)NC(=O)NNC(=O)c1ccc(Br)s1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nc(Cn2c3c(sc2=O)CCCC3)sc1C
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cccc(NNC(=O)c2cccc(N3CCCNC3=O)c2)c1
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CSc1ccccc1NC(=O)[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCOc1ccc(Cl)cc1NC(=O)[C@H]1CCO[C@H]1C
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]O[C@@H]1CCCc2ccccc21
Fragment 2: [4*]CCCN[5*]
### Response:
O=C(NCCCO[C@@H]1CCCc2ccccc21)C(=O)Nc1cccnc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(C(=O)Cc2cccc(O)c2)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1ccc([C@H](O)C2(C#N)CCC(C)(C)CC2)o1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
CC(C)c1cnc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12c(c(cc3c1cccc3)C(=O)Nc1c(F)cccc1)nccc2
### Response:
O=C(Nc1ccccc1F)c1cc2ccccc2c2cccnc12 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(NC[C@@H]1CC=CCC1)NNc1cccc(F)c1F
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1oc2nc[nH]c(=O)c2c1C(=O)NC[C@H]1CCCc2ccccc21
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOc1cccc(/C=N/c2ccc3c(c2)CCC3)c1O
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CCO
Fragment 2: [1*]C(=O)CC[8*]
### Response:
O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(CCO)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1C[C@H](c2ccccc2)S/C1=[NH+]/[C@@H]1C[NH+]2CCC1CC2
### Response:
c1ccc([C@H]2CN/C(=[NH+]\[C@@H]3C[NH+]4CCC3CC4)S2)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COC(=O)C[C@@H](NC(=O)[C@@H]1CCCc2ccccc21)C1CC1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(CNc2ccccc2CCC(F)(F)F)nc(C(C)C)o1
### Response:
CC(C)c1nc(CNc2ccccc2CCC(F)(F)F)no1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCNC(=O)CN1C(=O)/C(=N\NC(=O)c2ccccc2Cl)c2ccccc21
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOC(=O)N[C@H]1CCC[NH+](Cc2ccsc2C(=O)OC)C1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C(Cc1ccc(N2CCCC2=O)cc1)Nn1cnc2ccccc2c1=O
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CSCc1cccc(NC(=O)CNC(=O)c2cc3occc3n2C)c1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)NC2CCCCC2)CC1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH2+]C1C2CC3CC(C2)CC1C3
Fragment 2: [6*]C(N)=O
### Response:
NC(=O)c1cccc(CC[NH2+]C2C3CC4CC(C3)CC2C4)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccnc(c1)CNC(=O)CSc1nnc(n1-c1ccccc1)-c1ccc(F)cc1
### Response:
O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)NCc1ccccn1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(c(OC(F)(F)F)cc1)C[NH2+]C1CCCC1
### Response:
FC(F)(F)Oc1ccccc1C[NH2+]C1CCCC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc2ccccc2c1
Fragment 2: [1*]C(=O)CCN[5*]
### Response:
O=C(NCCC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc2ccccc2c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1c([C@@H](C)[NH2+]Cc2c(Cl)cccc2Cl)cnn1C
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccn(C)c1Cc1n(-c2ccc(cc2)C)c(nn1)SCC(=O)Nc1c(F)cccc1
### Response:
Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccccc2F)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1nc(CCC(=O)N(C)C)cc([C@H]2CCCN2Cc2[nH]cc[nH+]2)n1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C/C(=N\NC(=O)C(=O)Nc1ccc(C)cc1)c1ccncc1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
c1cnc(N2CCN(Cc3nnnn3C3CC3)CC2)nc1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(Oc2ncnc(N3CCN(c4ccc(OC)cc4)CC3)c2N)cc1
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cc1ccc(NC(=O)CS(CCC(C)C)(=O)=O)cc1
### Response:
Cc1ccc(NC(=O)CS(=O)(=O)CCC(C)C)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]1(C[C@@](CCC1)(C([O-])=O)CC[NH+]1CCOCC1)CC
### Response:
CC[C@@H]1CCC[C@@](CC[NH+]2CCOCC2)(C(=O)[O-])C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1cc2c(cc1Cn1c(=O)oc3cccnc31)O[C@@H](C)C2
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCC
Fragment 2: [9*]n1c(C)ccc1C
### Response:
CCCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)[C@H]1CCS(=O)(=O)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NC[C@H]1COc2ccccc2C1
Fragment 2: [1*]C(=O)c1c(C)noc1[14*]
### Response:
Cc1noc(C(C)C)c1C(=O)NC[C@H]1COc2ccccc2C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH2+][C@H](C)c1cnc([C@@H]2C[NH+]3CCN2CC3)nc1C
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(C)=O
Fragment 2: [1*]C(=O)c1ccc(C[4*])o1
### Response:
CCc1cc(N(C)C)nc(SCc2ccc(C(=O)N3CCN(C(C)=O)CC3)o2)n1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COC[C@H](Nc1ccc(C(=O)N(C)C)nn1)C(C)C
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1N(c2cc(Cl)c(C)cc2)C(/C(C1=O)=C\c1cccc([N+](=O)[O-])c1)=O
### Response:
Cc1ccc(N2NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(OCCC(=O)NC2COC2)cc1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccccc1N([5*])C
Fragment 2: [13*][C@@H]1CCCO1
### Response:
C[C@@H](NC(=O)c1ccccc1N(C)C(=O)c1ccco1)[C@@H]1CCCO1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H](C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cccc[nH+]3)C[C@H]12
### Response:
4 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CS(=O)(=O)c1ccc(CCN[C@H](c2ccc(F)cc2)C2CCCC2)cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N(C)C(N[C@@H](c1cccs1)CC(C)C)=O)C(C)C
### Response:
CC(C)C[C@@H](NC(=O)N(C)CC(C)C)c1cccs1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cscc1CNC(=O)c1sccc1N
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
Cn1cc(S(=O)(=O)[N-]c2c(F)cc(Cl)cc2F)cn1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1cccc(Sc2cc(C)ccc2N)c1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
C[C@H](c1ccncc1)[NH+](C)CC(=O)N1CCCCCCC1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCCC[C@@H]([NH2+]C)c1ccc(F)cc1
### Response:
6 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H]1CO[C@@H](C)CN1[C@@H]1CC[C@@](CO)([NH2+]C2CC2)C1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc2c(C)nn([9*])c2s1
Fragment 2: [5*]NCC[8*]
### Response:
Cc1ccc(CCNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccccc1C1(CNC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)CC1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H](C)O[3*]
Fragment 2: [5*]N1CCC[C@@H]([15*])C1
### Response:
Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)C1)N2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(cccc(-c2nc(sc2)C)c1)NC(=O)[C@H]1CN(C(=O)Nc2sccc2)CCC1
### Response:
Cc1nc(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4cccs4)C3)c2)cs1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H](CC(=O)[O-])NC(=O)CN(C)c1ncccn1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2ccccc2O)on1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@H]1c1cccc(OC)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[C@@H](NC(=O)c1ccccc1CSc1nc2ccccc2[nH]1)C1CC1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C)cccc(c1)NC(=O)CN1CCN(S(=O)(c2sccc2)=O)CC1
### Response:
Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)c1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)O[C@@H](C)Cn2cccn2)cc1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC(C)C[C@@H](C[NH3+])N[C@H](C)c1ccccc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cccc(CN2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)NC2CCC(C)CC2)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(c1ccc(cc1)S(=O)(N1[C@H](C)CCCC1)=O)=O
### Response:
CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC1(C)CCN(c2nc(C[C@H]([NH3+])c3ccccc3)cs2)C1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
S=C(N[C@@H]1c2c(CCC1)n(nc2)C)N[C@H](c1ccccc1)C
### Response:
C[C@H](NC(=S)N[C@H]1CCCc2c1cnn2C)c1ccccc1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
Cc1cc(Cl)ccc1NC(=O)Cn1cc(N)cn1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC
Fragment 2: [1*]C(=O)C[8*]
### Response:
CCO[C@@H]1C[C@H](NC(=O)Cc2cc(C(C)=O)ccc2OC)C12CCCCC2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)C1C[C@H](C)O[C@@H](C)C1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(Cn1cnc2c([nH]c3ccccc32)c1=O)NCc1cccc(Cl)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1CC1
Fragment 2: [5*]N1CC[C@@H](N([5*])C)C1
### Response:
CN(Cc1noc(C2CC2)n1)[C@@H]1CCN(Cc2nnnn2C2CC2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O1[C@@H](CNC(=O)c2cccn2CC([O-])=O)CN(C)CC1
### Response:
CN1CCO[C@@H](CNC(=O)c2cccn2CC(=O)[O-])C1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
O=C1[C@H](Nc2ccccc2O[C@H]2CCOC2)CCCN1Cc1ccccc1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(S(=O)(=O)N(CCC(=O)[O-])c2ccccc2C(=O)[O-])cc1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccccc1-c1ccccc1S(=O)(=O)/N=C(\[O-])NCCCC
### Response:
CCCCN/C([O-])=N/S(=O)(=O)c1ccccc1-c1ccccc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
NC(=O)C[C@@H](C1CCCCC1)NC(=O)c1c(n2cc(C)ccc2nc1)=O
### Response:
Cc1ccc2ncc(C(=O)N[C@@H](CC(N)=O)C3CCCCC3)c(=O)n2c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCC[C@@]1(C)NC(=S)N(c2ccc(Cl)cc2)N1
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NCc1cccc(F)c1)[C@@H]1CCCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)C1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1nc(N2C[C@@H](CCN3CCCC3=O)c3ccccc32)c2cc[nH]c2n1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1nc(-c2ccc(F)cc2)sc1C(=O)NNC(=O)C(C)(C)C
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN(C)C(=O)c1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)cc1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CO[C@H](C)C(=O)Nc1cc(-c2ncco2)ccc1C
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc2N(C(=O)[C@](c2c1)(O)c1c2c([nH]c1C)cccc2)C/C=C/c1ccccc1
### Response:
Cc1[nH]c2ccccc2c1[C@@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21 |
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