task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
functional_group | ### Instruction:
Does the molecule contain a amine group?
COC(=O)c1c(NC(=S)Nc2ccc3c(c2)CCC3)sc2c1CC[C@H](C)C2
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CC1=C(C(=O)CN2C(=O)N[C@@H](CC3=c4ccccc4=[NH+]C3)C2=O)C[C@H](C)N1c1ccc(C)c(F)c1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H]1(C)OCC[C@H]1C(Nc1ccccc1C#CCCO)=O
### Response:
C[C@H]1OCC[C@H]1C(=O)Nc1ccccc1C#CCCO |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NCc1nc2ccccc2s1)Nc1ccc(Cl)c(Cl)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C([NH+]([C@@H]1c2ccccc2CCC1)CCCO)c1ccc(C#N)cc1
### Response:
N#Cc1ccc(C[NH+](CCCO)[C@H]2CCCc3ccccc32)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(nnc(o1)-c1cn(c2ccccc12)CC(=O)Nc1cc2c(cc1)OCO2)CC
### Response:
CCc1nnc(-c2cn(CC(=O)Nc3ccc4c(c3)OCO4)c3ccccc23)o1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)CCOc1ccc(NC(=O)N2C[C@@H](C)CC[C@H]2C)cc1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Nn1c(Cc2ccc(F)c(F)c2)nnc1SCC(=O)[O-]
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(F)c(OC)c2)C1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(Br)cc(c(OC)c1)C[C@H](c1cc(Cl)ccc1)CO
### Response:
COc1ccc(Br)cc1C[C@@H](CO)c1cccc(Cl)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OS(=O)(=O)c1ccc(Cl)cc1Cl
Fragment 2: [16*]c1ccc2nonc2c1
### Response:
O=S(=O)(Oc1ccc2nonc2c1)c1ccc(Cl)cc1Cl |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1ccccc1Oc1ccc(cc1)OCC(NC[C@H]1OCCC1)=O
### Response:
O=C(COc1ccc(Oc2ccccn2)cc1)NC[C@@H]1CCCO1 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
CN1CCCc2cc(/C=C/C(=O)Nc3nc(-c4ccccn4)cs3)ccc21
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccc([C@H](C)N(C(N[C@@H]2C[C@@H]2C)=O)C)cc1)[S@](C)=O
### Response:
C[C@H]1C[C@H]1NC(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(=O)(NC[C@@H](C[NH+]1CCCC1)C)Nc1c(C)cccc1C(C)C
### Response:
Cc1cccc(C(C)C)c1NC(=O)NC[C@H](C)C[NH+]1CCCC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC(=O)N/N=C/c1ccc(OC)c(O)c1
Fragment 2: [3*]Oc1ccccc1
### Response:
COc1ccc(/C=N/NC(=O)COc2ccccc2)cc1O |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COc1ccc(CCNC(=O)[C@@H](C)NC(=O)c2ccccc2)cc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc2nc(COC(=O)c3cnc(OCC(F)(F)F)c(Cl)c3)cc(=O)n2c1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C1N/C(=N\c2ccccn2)S[C@@H]1Cc1cccc(C(F)(F)F)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(c1ccccc1C)CNC(c1[nH]nc(c1N)C1CC1)=O
### Response:
Cc1ccccc1CCNC(=O)c1[nH]nc(C2CC2)c1N |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc2c(c1)[C@H]([NH3+])[C@@H](N(C)Cc1[nH+]ccn1C)C2
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@@H](N2CCOCC2)[C@@H](C[NH+](C1)Cc1[nH]c2c(C)cccc2c1C)O
### Response:
Cc1c(C[NH+]2CC[C@@H](N3CCOCC3)[C@H](O)C2)[nH]c2c(C)cccc12 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(F)([C@@](C(=O)OC)(CC(Nc1c(cccc1)C)=O)O)(F)F
### Response:
COC(=O)[C@@](O)(CC(=O)Nc1ccccc1C)C(F)(F)F |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC(=O)c1cc(-c2ccccc2)n(CC(=O)N2CCCCCC2)c1C
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(c(Cl)cccn1)NNC(=O)CCn1c(sc(C)c1C)=O
### Response:
Cc1sc(=O)n(CCC(=O)NNc2ncccc2Cl)c1C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1c(CN2CCCN(c3ncccn3)CC2)cc(C#N)n1C
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(C)cc1CN1CCN(C(=O)c2ccccc2SCC(=O)N2CCCC2)CC1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(F)cc1
Fragment 2: [1*]C(=O)[C@@H]1CC(O)=Nc2c(C)c([14*])nn21
### Response:
Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1ccccc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc(C)c1N1CC[C@H](CO)C1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
Cc1ccsc1CNC(=O)Nc1cccc(Cl)c1C(=O)[O-]
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1nc2c3cnn(C)c3ncn2n1
Fragment 2: [8*]Cc1nc2c3cnn(C)c3ncn2n1
### Response:
Cc1nn(Cc2nc3c4cnn(C)c4ncn3n2)c(C)c1Cl |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C([C@H]1CCC[C@]1(C([O-])=O)[NH3+])COC1CCCCC1
### Response:
[NH3+][C@@]1(C(=O)[O-])CCC[C@@H]1CCOC1CCCCC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
FC(F)(c1cc(N2C(C[C@@H](C(=O)OC)C2)=O)ccc1)F
### Response:
COC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [10*]N1C(=O)c2ccccc2[C@]1(O)c1ccc(C)cc1C
Fragment 2: [8*]C(C)C
### Response:
Cc1ccc([C@@]2(O)c3ccccc3C(=O)N2C(C)C)c(C)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH2+][C@@H](CC)CO
Fragment 2: [14*]c1nc2ccc(Cl)cc2n1C
### Response:
CC[C@@H](CO)[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CS(=O)(=O)c1ccc(CC(=O)Nc2ccccc2C2[NH+]=c3ccccc3=[NH+]2)cc1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12NC(CCc2cc(cc1)S(=O)(N[C@H]1CCC[C@H](C(F)(F)F)C1)=O)=O
### Response:
O=C1CCc2cc(S(=O)(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)ccc2N1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1c(F)cccc1F
Fragment 2: [5*]N[C@H]1CCN([5*])C1
### Response:
C=CCCC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCS(=O)(=O)NCC1CCN(C(=O)c2ccno2)CC1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CCN1C(=O)C[C@@H](C(N(c2cc3c(OCCO3)cc2)Cc2sccc2)=O)C1
### Response:
CCN1C[C@H](C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)CC1=O |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(C1CC1)N1CCC[C@H](Cn2cc[nH+]c2-c2cc3n(n2)CC[NH2+]C3)C1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cccc(N2C[C@H](C(=O)NCCNC(c3cc4c(cc3)cccc4)=O)CC2=O)c1
### Response:
O=C(NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc2ccccc2c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(cc(F)c(cc1)OC)CCC(=O)N(C)C[C@H](C)C([O-])=O
### Response:
COc1ccc(CCC(=O)N(C)C[C@H](C)C(=O)[O-])cc1F |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@@H]([C@@H](S(=O)(=O)C)CC1)[NH+](C)Cc1onc(CCC(C)C)n1
### Response:
CC(C)CCc1noc(C[NH+](C)[C@H]2CCC[C@@H]2S(C)(=O)=O)n1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1cc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc(OC)c1OC
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [10*]N1CCCC1=O
Fragment 2: [5*]N1C[C@@H](CC[8*])c2ccccc21
### Response:
O=C1CCCN1CC[C@@H]1CN(C(=O)[C@H]2CCCS2)c2ccccc21 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C=C1C[C@]2(C)C(=CC1=O)CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H](OC(=O)OCC)CC[C@@H]12
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [11*]SCC
Fragment 2: [15*][C@@H]1CC[C@H]([15*])C1
### Response:
CCS[C@H]1CC[C@@H](NC(=O)N2CCCN(C(=O)C(C)(C)C)CC2)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C[C@@H](C)C[8*]
Fragment 2: [9*]n1cc[nH+]c1
### Response:
C[C@H](C[NH2+][C@@H]1CCc2c(Br)cccc21)Cn1cc[nH+]c1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1Cl
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COc1cc(/C=N\NC(=O)C(=O)Nc2cccc3ccccc23)cc(OC)c1OC
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)[C@H](NC(=O)/C=C/c1c(Cl)cccc1Cl)C(C)C
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(S(N)(=O)=O)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)/N=c3/sccn3C)ccc2Cl)C[C@@H](C)O1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[C@@](C)([C@H]([NH3+])CCC1CC1)N1CCOCC1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
O=C(CSCC(=O)c1ccc2c(c1)Cc1ccccc1-2)Nc1ccccc1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
COc1ccccc1CNC(=O)[C@@H](C)OC(=O)c1cccn1C
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CC(C)C[NH+]1CC[C@H](CNC(=O)c2ccc(N3CCNC(=O)CC3)nc2)C1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1ccc(C(C)(C)NC(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
O=C(N[C@H](c1ccccc1F)C1CCCC1)N1CCC(CO)CC1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
[NH3+]CC1([C@H](O)c2ccccc2)CCOCC1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amide group?
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@H]2c2ccccc2[N+](=O)[O-])cc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c([N+](=O)[O-])c1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1(-c2ccc(cc2)C(=O)NCCc2ncnn2C)ccnc1SC
### Response:
CSc1nccn1-c1ccc(C(=O)NCCc2ncnn2C)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C([NH2+][C@@H](C(C)(C)C)C(C)(N1CCOCC1)C)CC
### Response:
CCC[NH2+][C@@H](C(C)(C)C)C(C)(C)N1CCOCC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N(CC(N(CC)CC)=O)CCN(C1)C(NCCc1ncnn1C)=O
### Response:
CCN(CC)C(=O)CN1CCN(C(=O)NCCc2ncnn2C)CC1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=c1[nH]c(-c2ccc(F)cc2)nc2ccsc12
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cc(cc1)N1C[C@]23O[C@H](C=C2)[C@@H](C(NCCC2C[NH+]=c4c=2cccc4)=O)[C@@H]3C1=O)C(F)(F)F
### Response:
O=C(NCCC1=c2ccccc2=[NH+]C1)[C@@H]1[C@H]2C=C[C@]3(CN(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]13)O2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cc1ccc(C)cc1-c1csc([nH]1)=O
### Response:
Cc1ccc(C)c(-c2csc(=O)[nH]2)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cn1ccnc1[C@H](NC(=O)CNC(=O)C(C)(C)C)c1ccc(F)cc1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1nn(C)c(Cl)c1CSCC(=O)N(C)[C@@H]1CCCc2ccccc21
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCN([5*])CC1
Fragment 2: [16*]c1ccccc1
### Response:
CC(=O)N1CCN(C(=O)[C@H](C)Cc2ccccc2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C=CC[NH2+]Cc1nc(Cc2cccs2)no1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
O=C1CN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C5CCCCCC5)C(=O)[C@@H]24)O3)CCN1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCCC[4*]
Fragment 2: [5*]N1CCOCC1
### Response:
N#Cc1c(Cl)nsc1NCCCCN1CCOCC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [10*]N1CCCOC1=O
Fragment 2: [1*]C(=O)C1(N[5*])CCCC1
### Response:
CC(C)CNC(=O)C1(NC(=O)c2ccc(N3CCCOC3=O)cc2)CCCC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cc(C)cc[n+]1C([6*])=O
Fragment 2: [15*]C1CCCCC1
### Response:
Cc1cc[n+](C(=O)c2ccc([N+](=O)[O-])cc2C)c(NC2CCCCC2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
c1ccc(Cn2c(SCc3ncon3)nnc2-c2cccs2)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
COC(=O)[C@H]1CN(C(=O)c2sc(C)nc2C)C[C@H]1C
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2F)N3)C1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOc1ccc(S(=O)(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
CC(=O)Nc1cn(-c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)cn1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCN(c2ccc(F)cc2)CC1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CCC[C@@H]1C[C@H]1NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
COc1ccc(C)cc1N(CC(=O)NCc1ccc2c(c1)OCO2)S(C)(=O)=O
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc(/C=C/C(=O)Nc2cccc(S(N3CCN(C)CC3)(=O)=O)c2)cc1F
### Response:
CN1CCN(S(=O)(=O)c2cccc(NC(=O)/C=C/c3cccc(F)c3)c2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCC([15*])CC1
Fragment 2: [8*]Cc1ccccn1
### Response:
C/C=C(\C)C(=O)N1CCC([C@]2(CCC(C)C)NC(=O)N(Cc3ccccn3)C2=O)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCN([5*])CC1
Fragment 2: [4*]CC#C
### Response:
C#CCN1CCN([C@@H](C)C(=O)Nc2cc(F)ccc2C)CC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCOc1ccc(C[NH+](C)Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](CNC(=O)N1CCN(S(C)(=O)=O)CC1)N1CCOCC1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc(c(c1)Cl)COc1c(OC)cc([C@H](CO)[NH3+])cc1
### Response:
COc1cc([C@@H]([NH3+])CO)ccc1OCc1ccccc1Cl |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(C(Nc2ccc(C(N)=O)c(C)c2)=O)CC[C@H](C[C@@H]1C)C
### Response:
Cc1cc(NC(=O)N2CC[C@@H](C)C[C@@H]2C)ccc1C(N)=O |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc2c(-c3ccccc3)cc(S[C@H](C)C(=O)N3CCNC3=O)nc2c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C([O-])CCN/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]Cn1cc2c([16*])cc(=O)n([9*])c2n1
Fragment 2: [8*]C(F)F
### Response:
COC(=O)CCn1c(=O)cc(C(F)F)c2cn(Cc3ccccc3)nc21 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc([C@](O)(CC(=O)NNC(=O)c2oc3ccccc3c2C)C(F)(F)F)o1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@]12(C(=O)c3c(C([C@@]1(c1ccc(cc1)C)O2)=O)cccc3)C(=O)OCC
### Response:
CCOC(=O)[C@@]12O[C@]1(c1ccc(C)cc1)C(=O)c1ccccc1C2=O |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CCN(CC)C(=O)c1ccccc1NC(=O)N(C)[C@@H](C)CC#N
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cnc(-c2cccnc2)nc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cc(Cl)cc1NC(=O)/C(C#N)=C(/C(=C\C)C)[O-])Cl
### Response:
C/C=C(C)\C([O-])=C(/C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 |
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