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@]12CC3CC(C[NH2+]C4CCCC4)(C1)C[C@@](C)(C3)C2
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)Nc1ccc(NC(=O)c2nnn(-c3ccc(C)c(C)c3)c2C)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c2c(c(C)nnc2N(C(=O)c2ncc(Cl)cc2)CCC(C)C)ccc1
### Response:
Cc1nnc(N(CCC(C)C)C(=O)c2ccc(Cl)cn2)c2ccccc12 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CNc1nc([C@H]2CCCN(C(C)=O)C2)[nH+]c2c1CN(C(=O)Cc1ccc(C)c(C)c1)CC2
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(c1cc(C#N)c(N)nc1SCC=C)#N
### Response:
C=CCSc1nc(N)c(C#N)cc1C#N |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cc([14*])nn1C
Fragment 2: [14*]c1cc([14*])n(C)n1
### Response:
CCCc1cc(NC(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)n(C)n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
COc1c(cc(cc1)F)S(N(CC)CC(N1Cc2c(CC1)cccc2)=O)(=O)=O
### Response:
CCN(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1cc(F)ccc1OC |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [6*]C(=O)CC
Fragment 2: [8*]CC=C
### Response:
C=CCc1cc(C(=O)CC)ccc1OC |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(F)cc1Cl
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCc1ccccc1[16*]
Fragment 2: [5*]Nc1ccc2[nH]ccc2c1
### Response:
O=C(NCc1ccccc1-n1ccnc1)C(=O)Nc1ccc2[nH]ccc2c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1nccn1-c1ccc(cc1C(N1CCN(C(c2ccco2)=O)CC1)=O)C
### Response:
Cc1ccc(-n2ccnc2)c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C1([15*])CC1
Fragment 2: [14*]c1cccn1C
### Response:
Cn1cccc1-c1csc(NC(=O)C2(c3cccc(Br)c3)CC2)n1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
O=C(NCc1ccccc1Cn1cccn1)c1ccc([N+](=O)[O-])o1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(OC)cc(cc1)[C@H]([NH2+]CCOc1ncccc1Cl)C
### Response:
COc1cccc([C@@H](C)[NH2+]CCOc2ncccc2Cl)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H](C)(c1ccco1)N(C(=O)NCCCSC)C1CC1
### Response:
CSCCCNC(=O)N(C1CC1)[C@H](C)c1ccco1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1nc(c2c(n1)sc(C)c2C)NCc1n2cc(C(F)(F)F)cc(c2nn1)Cl
### Response:
Cc1sc2ncnc(NCc3nnc4c(Cl)cc(C(F)(F)F)cn34)c2c1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH2+]CC
Fragment 2: [4*]CC[C@H]1CCC[C@H]1[15*]
### Response:
CC[NH2+][C@@H]1CCC[C@@H]1CC[NH+]1CCCCc2ccccc21 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
Cc1ccc(-c2csc3[nH]c(=S)n(C[C@H]4CCCO4)c(=O)c23)cc1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H]1CN(c2ccc(NC(=O)c3ccc4[nH]cnc4c3)cc2)C[C@H](C)O1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CNC(=O)[C@@H]1C[NH2+]CCN(C(C)=O)C1
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)OCC(F)(F)F)cc1
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(Nc1ccc2c(c1)CCC2)N1CCC[C@H]1c1ccc2c(c1)OCCO2
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)C2CCC2)C3)c1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CS(=O)(=O)c1nccc2ccccc12
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(CSCc1cccnc1)N[C@@H]1CCc2c(O)cccc21
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cnccc1[C@@H]1C2=C(CCCC2=O)N=C(C1C(=O)OCC)C
### Response:
CCOC(=O)C1C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccncc1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
COC(=O)c1cc(NC(=O)C2CCCC2)cc(C(=O)OC)c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1c(C(=O)NCC(=O)OC(C)(C)C)sc(C)c1Br
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(NC(C1CC1)C1CC1)N1CCC(CC1)C(=O)NCCC
### Response:
CCCNC(=O)C1CCN(C(=O)NC(C2CC2)C2CC2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(CC(N[C@@H]2[C@H](C)[C@H](CCC2)C)=O)c[nH]c2c1cccc2
### Response:
C[C@H]1[C@@H](NC(=O)Cc2c[nH]c3ccccc23)CCC[C@@H]1C |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=S(=O)(NCc1ccsc1)c1ccc(F)c(F)c1F
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CC1CCN(C(=O)[C@@H](C)[C@H]2CC[C@@]3(C)CC[C@H](NC(=O)Cc4ccccc4)[C@@H](C)[C@@H]3[C@H]2O)CC1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O[C@@H](C[NH+]1CCSCC1)COc1cc(ccc1)C#N
### Response:
N#Cc1cccc(OC[C@@H](O)C[NH+]2CCSCC2)c1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)N1CCC(C(C)(C)C)CC1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cccc1)C[C@H]1C2(Cc3ccccc3C2)CC[NH2+]C1
### Response:
c1ccc(C[C@@H]2C[NH2+]CCC23Cc2ccccc2C3)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(N[C@@H]1CCCc2ccccc21)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH2+]Cc1csc(-c2ccc(OC)cc2)n1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
Cc1c(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cccc1[N+](=O)[O-]
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cnc2c(C)csc2c1
Fragment 2: [5*]Nc1cccc(C)c1
### Response:
Cc1cccc(NC(=O)c2cnc3c(C)csc3c2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+](C)C
Fragment 2: [4*]Cc1cc(C)c(C)cc1O
### Response:
Cc1cc(O)c(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@H]([8*])C(C)C
Fragment 2: [16*]c1ccc(OC)cc1
### Response:
COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)C(C)C)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H]([4*])[8*]
Fragment 2: [15*]C1CCCC1
### Response:
O=C(NCc1ccco1)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [6*]C(=O)NN(C)C
Fragment 2: [1*]C(=O)c1ccc(Br)cc1
### Response:
CN(C)NC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CCCCC2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOC(=O)c1nc(Nc2ccsc2C(=O)OC)c2c(C)noc2n1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(NC(=O)C2CCN(C(=O)c3cc(-c4ccccn4)[nH]n3)CC2)c(Br)c1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H](C(=O)NCCc1ccc[nH]1)c1c(F)cccc1F
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
Cc1cccc(-c2ccnc(N)n2)c1C
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1C[C@H](O)C[C@@H]1[13*]
Fragment 2: [1*]C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12
### Response:
C[C@]12CCC(=O)N1[C@@H](C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])CS2 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
N#Cc1csc(CNc2ccc(F)cc2OCC(F)F)c1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C([O-])CC[C@@]12CCCC[C@]1(O)OC(=O)CC2
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COCCO[C@@H](C)C(=O)Nc1ccc(-c2nc3ccccc3s2)cn1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCNC(=O)C1
Fragment 2: [1*]C(=O)C[4*]
### Response:
O=C1CN(C(=O)CN2CCc3ccccc32)CCN1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CCc1nc(CN[C@H](c2cccc(F)c2)c2[nH+]ccn2C)cs1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccs1
Fragment 2: [5*]N(C)C
### Response:
CN(C)[C@H](CNC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1cccs1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cccs1
Fragment 2: [5*]N(C)C[C@@H]([8*])O
### Response:
CN(C[C@H](O)C1CC1)C(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cccc(/N=C2/N[C@H]3CS(=O)(=O)C[C@H]3S2)c1
Fragment 2: [15*]C1CCCCC1
### Response:
O=C(c1cccc(/N=C2/N[C@H]3CS(=O)(=O)C[C@H]3S2)c1)N1CC[NH+](C2CCCCC2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [11*]Sc1ccc(F)cc1F
Fragment 2: [15*][C@@H]1CCCC(C)(C)[C@@H]1[NH3+]
### Response:
CC1(C)CCC[C@@H](Sc2ccc(F)cc2F)[C@H]1[NH3+] |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1cccnc1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CC(=O)Oc1ccc([C@H]2Nc3c(C(=O)[O-])ccc([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)cc1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@]1(c2ccncc2)C[NH+]=C(N)N1C[C@@H]1CCCO1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[nH]1c(C(N/N=C(\C)c2sccc2)=O)c2c(CCC2)n1
### Response:
C/C(=N\NC(=O)c1[nH]nc2c1CCC2)c1cccs1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1cc(I)c(C(=O)NNC(=O)c2ccc(C)s2)cc1OC
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@H](Oc1ccc(C)nc1C[NH3+])C(=O)[O-]
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N(CCCC1)C(=O)[C@H](NC([C@@H](C)Oc1c(cc(Cl)cc1)Cl)=O)C
### Response:
C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N1CCCCC1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cn1cc(CNC(=O)N2CCC[C@H]2CN2CCOCC2)cn1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
Cc1ccc2nc(COC(=O)c3cnc(OCC(F)(F)F)c(Cl)c3)cc(=O)n2c1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N12C(=O)CC[C@@]2(C(=O)O[C@@H](c2ccc(cc2)F)C)Sc2ccccc21
### Response:
C[C@@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)c1ccc(F)cc1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CC[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H](C)NC(=O)C1CCC1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
[NH3+][C@H]1CCC[C@@H]1NC(=O)N1CCCC1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1F
Fragment 2: [4*][C@@H](C)CN[5*]
### Response:
CCn1nc(C(=O)NC[C@H](C)Oc2ccccc2F)ccc1=O |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc2[nH]c3c4ccccc4[nH+]c(C)c3c2cc1C
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [6*]C(=O)c1cc2[nH]c(=O)[nH]c2cc1Br
Fragment 2: [6*]C(=O)c1cscc1C
### Response:
Cc1cscc1C(=O)c1cc2[nH]c(=O)[nH]c2cc1Br |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[NH+](C)([C@@H]1C[C@H](NC(=O)NCC2CC[NH+](CC2)Cc2oc(c(C)n2)C)CC1)C
### Response:
Cc1nc(C[NH+]2CCC(CNC(=O)N[C@@H]3CC[C@H]([NH+](C)C)C3)CC2)oc1C |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
COc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)cc1F
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1cccc(C(=O)/C=C/c2cc(OC)c(OC)cc2OC)c1
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCC[C@@](O)(c1ccccc1)[C@H](C)C#N
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1cc(OC)cc([C@H]2CC[NH+](CCC(F)(F)F)C2)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc2c(c1)OCCO2
Fragment 2: [4*][C@@H]([8*])C1CC1
### Response:
CSC[C@H](C)N(C)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N(CCC(n2c3c(cccc3)[nH]c2=O)C1)c1ncnc(-n2cncc2)c1
### Response:
O=c1[nH]c2ccccc2n1C1CCN(c2cc(-n3ccnc3)ncn2)CC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(CC(=O)N2CCc3ccccc3C2)C1
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCC(=O)Oc1ccc2c(c1C)O/C(=C\c1ccc(C)o1)C2=O
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1cnnn1
Fragment 2: [1*]C(=O)C[8*]
### Response:
COC(=O)CCN(C)C(=O)Cn1cnnn1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]Cc1cccnc1
Fragment 2: [7*]C1SC([O-])=N/C1=N\c1ccc(C)cc1
### Response:
Cc1ccc(/N=C2\N=C([O-])S\C2=C/c2cccnc2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N([C@H](C(=O)[O-])c1ccccc1)C(=O)[C@H]1CCCN(C1)C(=O)OC(C)(C)C
### Response:
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@H](C(=O)[O-])c2ccccc2)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C[C@H]([8*])O
Fragment 2: [4*][C@@H](C)C[8*]
### Response:
C[C@@H](Cc1nc2ccccc2s1)[NH2+]C[C@@H](O)c1c(F)cccc1F |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1cccc(C[C@@H](NCc2ncn(C)n2)c2ccccc2)c1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC1CCC(NC(=O)C(=O)Nc2cc(C(C)C)on2)CC1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc2c(C)nc(Nc3nc(C)cc(C)n3)nc2c1
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@@H](NC(=O)N1CCC[C@H](CO)C1)c1c(C)nn(C)c1C
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]C1C=C(c2ccc(OC)cc2)OC1=O
Fragment 2: [7*]Cc1ccc(OC)c(Br)c1
### Response:
COc1ccc(C2=C/C(=C/c3ccc(OC)c(Br)c3)C(=O)O2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C=C[C@H](CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)c1ccccc1
### Response:
5 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(F)ccc([C@H](NC(=O)C)c2ccc(cc2)Br)c1
### Response:
CC(=O)N[C@@H](c1ccc(F)cc1)c1ccc(Br)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1nc([14*])ccc1[16*]
Fragment 2: [4*]CC1(O)CCCC1
### Response:
NC(=O)c1ccc(C(F)(F)F)nc1NCC1(O)CCCC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
N#Cc1c(F)cccc1N1CCN(Cc2cnc[nH]2)CC1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C(=O)NC2=C[C@H]3N=CC=C3C=C2)c2c(C)noc2n1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CCc1n(-c2ccc(F)cc2)ncc1C(=O)N1CCN(CC1)S(=O)(N(C)C)=O
### Response:
CCc1c(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cnn1-c1ccc(F)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
NOCCCc1ccccc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
Cc1ccnc(NC(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)c1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(n(C)nc(C(N(CC)Cc2ccccc2)=O)c1)NC(=O)Cc1ccccc1
### Response:
CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)Cc2ccccc2)n(C)n1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC(CC)c1cc[n+](CCN2C(=O)c3ccccc3C2=O)cc1
### Response:
5 |
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