task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
functional_group | ### Instruction:
Does the molecule contain a ether group?
Cc1cccc(C)c1NC(=O)C[NH+]1CCC(OCc2ccc(F)cc2)CC1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Clc1cc(CNC([C@H]2CCCN(C(=O)Cc3c[nH]c4c3cccc4)C2)=O)ccc1
### Response:
O=C(NCc1cccc(Cl)c1)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C(C)(C)CC(C)C
Fragment 2: [5*]N[C@H](C)CCC
### Response:
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H](Oc1ccccc1F)C(=O)NCC(=O)N1CCCC1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(cc([N+](=O)[O-])c1)C(=O)Nc1ccc(O)c(-c2nc3cc(ccc3o2)C)c1
### Response:
Cc1ccc2oc(-c3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3O)nc2c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nc(Br)ccc1NC(=O)C(=O)N1C[C@H](C)C[C@@H](C)C1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN(CCc1cccs1)S(=O)(=O)C[C@@H]1CCC[NH2+]C1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
Cc1cc(CS(=O)(=O)Nc2ccnn2Cc2cccnc2)no1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCC1(C(=O)NC2CCC(O)CC2)CCCC1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1nc2c3cccc(C)c3ncn2c1=O
Fragment 2: [5*]Nc1cccc(Cl)c1
### Response:
Cc1cccc2c1ncn1c(=O)n(CC(=O)Nc3cccc(Cl)c3)nc21 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C=C(Cl)Cc1ccc(C#N)cc1
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COCCNC(=O)C(=O)NCc1ccccn1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(ccc(c1)C(=O)N[C@H](c1ccc(c(F)c1)F)C(=O)OC)NC(C)=O
### Response:
COC(=O)[C@H](NC(=O)c1ccc(NC(C)=O)cc1)c1ccc(F)c(F)c1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
FC(F)n1ccnc1CSCc1nc(-c2cccc(Cl)c2)no1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(c1ccnn1C(C)C)C(=O)[C@@H]1CN(CCC1)C(=O)Nc1ccccc1
### Response:
CC(C)n1nccc1NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1[N+]#N
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN(Cc1ccno1)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn12
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CS[11*]
Fragment 2: [11*]SCc1cccs1
### Response:
CC[C@@](C)(NC(=O)CSCc1cccs1)C(=O)[O-] |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc([16*])cc1
Fragment 2: [16*]c1ccc(F)cc1
### Response:
C[C@@H](NC(=O)COc1ccc(F)cc1)c1ccc(NC(=O)c2ccncc2)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc(NC(=O)N(C)[C@@H](C)c2ccco2)ccc1-n1cnnn1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc2cccc(C(=O)N[C@@H](c3n[nH]c(C)n3)C(C)C)c2n1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@H]([8*])C
Fragment 2: [16*]c1cnn(C)c1C
### Response:
CCOc1ccc2c(c1)C=C(C(=O)N[C@@H](C)c1cnn(C)c1C)CO2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C(C)(C)C
Fragment 2: [5*]NCc1n[nH]c(=S)n1CC
### Response:
CCn1c(CNC(=O)Nc2ccccc2C(C)(C)C)n[nH]c1=S |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc([N+](=O)[O-])nc1
Fragment 2: [5*]N[C@H]1CCCC[C@H]1[S@@](=O)CC
### Response:
CC[S@](=O)[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])nc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@H]2CCCO2)c1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC1N(CCC(C)C)C(=O)NCc1ccc(N2CCOCC2)cc1
### Response:
CC(C)CCN(C(=O)NCc1ccc(N2CCOCC2)cc1)C1CC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCCn1cnnc1[C@@H](C(=O)OCC)c1cccc(Br)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
COc1cc(C(=O)N[C@H](C)C(=O)N2CCCCC2)nc2ccccc12
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(CC(=O)NNC(=O)COc2ccc3ccccc3c2)cc1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
COc1ccccc1C(=O)NCC(=O)Nc1cccnc1C
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cnn2c3c(cnc12)CCCCCC3
Fragment 2: [5*]N[C@H]1CCC[C@H](C)[C@H]1C
### Response:
C[C@H]1[C@@H](NC(=O)c2cnn3c4c(cnc23)CCCCCC4)CCC[C@@H]1C |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
CC(C)CN(C(=O)NCc1ccc(C(F)(F)F)cc1)C1CC1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCN1C(=O)c1ccco1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](c1cccnc1)N(C)C(=O)c1ccc(-n2ccnn2)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(OC)c2c1OCO2
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(c(cc1)Cl)-n1ncc2c(n(cnc21)CC(N1CCCCC1)=O)=O
### Response:
O=C(Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)N1CCCCC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C=CCc1cc(CNC(=O)c2ccco2)cc(OC)c1OC
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
c1ccc(CC[NH2+][C@@H]2CCc3ncnn3C2)nc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
N#C[C@]1(NC2CC2)CC[C@@H](Sc2n[nH]c(=O)n2C2CC2)C1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](OC(=O)c1ccccc1I)c1nc2ccccc2c(=O)[nH]1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(NC(=O)NCCc1c(C)cc(cc1)F)CCl
### Response:
Cc1cc(F)ccc1CCNC(=O)NC(=O)CCl |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cccc(Cn2c(=O)n(-c3ccccc3)c(=O)c3c2c2cc(C)ccc2n3C)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*][C@H](C[NH3+])C(F)(F)F
Fragment 2: [10*]N1C[C@H](CC)CC1=O
### Response:
CC[C@@H]1CC(=O)N([C@H](C[NH3+])C(F)(F)F)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCS([12*])(=O)=O
Fragment 2: [5*][NH2+]CCS([12*])(=O)=O
### Response:
Cc1cc([C@@H]([NH2+]CCS(=O)(=O)N2CCOCC2)C(C)C)c(C)s1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
CS(=O)(=O)CS(=O)(=O)OCCCl
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
[NH3+]C[C@]1([C@]2(O)CCOC2)COc2ccccc2C1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
FC([C@H]1C[C@@H]([C@@H]2C[NH+](Cc3cc(C)ccc3OC)CCC2)Nc2ncnn12)(F)F
### Response:
COc1ccc(C)cc1C[NH+]1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1C[C@H](C)CN(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)C1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C([C@@H](C)CN/C(NC[C@@H]1OCCC1)=[NH+]/CC)#N
### Response:
CC/[NH+]=C(\NC[C@H]1CCCO1)NC[C@H](C)C#N |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@@H](C)NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)CN1C(=O)NC(=N)[C@]12CCCC[C@H]2C(C)(C)C
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[NH+]1CCC(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccco1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N(C[C@@H]1CCCO1)C(=O)NC(C(C)(C)C)=O)c1cc2CCN(c2cc1)C
### Response:
CN1CCc2cc(CN(C[C@@H]3CCCO3)C(=O)NC(=O)C(C)(C)C)ccc21 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C)Oc1ccc(cc1)C(=O)N[C@@H](c1ccccc1)c1nc([nH]n1)C
### Response:
CCOc1ccc(C(=O)N[C@@H](c2ccccc2)c2n[nH]c(C)n2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COc1cccc2cc(C[NH+]3CC[C@@H]([N+]4=CCCC4)C3)oc12
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc(C)c(F)c1
Fragment 2: [1*]C(=O)c1cccc(Br)c1
### Response:
Cc1ccc(NC(=O)c2cccc(Br)c2)cc1F |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@H]([8*])C
Fragment 2: [3*]OC(F)F
### Response:
C[C@H](NC(=O)c1ccoc1)c1ccc(OC(F)F)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cc(C[NH+]2CCC(c3nnc(SC[C@H]4CCCO4)n3C)CC2)cc2c1OCO2
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1nnc([C@@H](C)Oc2cccc(I)c2)o1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NS(=O)(=O)c1cc(Cl)ccc1OC
Fragment 2: [3*]OCC
### Response:
CCOC(=O)c1c(NS(=O)(=O)c2cc(Cl)ccc2OC)sc2c1CCCC2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C=CCN(CC(=O)[O-])C(=O)c1sc(N)nc1C
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
Cc1ccsc1/C=C1\Oc2cc(OCC(N)=O)ccc2C1=O
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [11*]S[C@@H]1N=NC(=O)[C@H]2C=C(c3ccc(CC)cc3)NN21
Fragment 2: [1*]C(=O)C[4*]
### Response:
CCc1ccc(C2=C[C@@H]3C(=O)N=N[C@@H](SCC(=O)Nc4cccc(C)c4)N3N2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CCc1ncc(C(=O)N2CCN(c3cccc(OC)c3)CC2)s1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ester group?
COc1ccc([C@@H](C)N(C)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)cc1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COC(=O)CCN(Cc1ccccc1C#N)C(C)C
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
Cc1nc(NC(=O)c2ccncc2C#CCCO)sc1C
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N(CCC[C@@H]1COCC#C)S(=O)(c1cc(F)ccc1F)=O
### Response:
C#CCOC[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2F)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1ccc([14*])o1
Fragment 2: [4*][C@@H](C)c1ccc([14*])o1
### Response:
C[C@H](SCC[NH3+])c1ccc(C(=O)[O-])o1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@H]([8*])C
Fragment 2: [14*]c1nc(C)c([14*])s1
### Response:
COCCCC(=O)N[C@@H](C)c1sc(-c2ccccc2F)nc1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1(cnc2c(cccc12)Cl)C
### Response:
Cn1cnc2c(Cl)cccc21 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
COC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2cccc(C)c2)c1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COC(=O)c1cccc(CCNC(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)c1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccc(cc1)Cl)C1C[C@H]2c3c(cccc3)O[C@H](N2N=1)c1ccncc1
### Response:
Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccncc2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(/c1ccccc1)=C\CSc1n(c(-c2ccc(c(c2)OC)OC)nn1)N
### Response:
COc1ccc(-c2nnc(SC/C=C/c3ccccc3)n2N)cc1OC |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(c(ccc1C(=O)CCC(=O)Nc1ccc(c(c1)C(=O)N(C)C)F)C)C
### Response:
Cc1ccc(C(=O)CCC(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)cc1C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CS[C@H]1CCCC[NH+](Cc2ccc(OCc3c(C)noc3C)cc2)C1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(onc1CC)CNC(=O)N1CCC(CC1)OCc1ccccc1C
### Response:
CCc1cc(CNC(=O)N2CCC(OCc3ccccc3C)CC2)on1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(c1c[nH]nc1-c1ccccn1)C(=O)N1Cc2cc(ccc2CC1)OCC
### Response:
CCOc1ccc2c(c1)CN(C(=O)Nc1c[nH]nc1-c1ccccn1)CC2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[NH+](CCC(=O)NC(=O)Nc1ccccc1)Cc1ccccc1F
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(N/N=C/c1sc(cc1)C)c1ccc(F)cc1
### Response:
Cc1ccc(/C=N/NC(=O)c2ccc(F)cc2)s1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCOC(=O)CSc1nnc2c3c(C)c(C)sc3ncn12
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@H]1C[C@@H](O)[C@H](O)[C@@H]2N=C(N[5*])S[C@@H]21
Fragment 2: [5*]NCc1ccccc1
### Response:
CSc1ccc(NC2=N[C@H]3[C@@H](O)[C@H](O)C[C@H](C(=O)NCc4ccccc4)[C@H]3S2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc(-c4ccc5ccccc5c4)c(=O)n2C3)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc2occc2n1C
Fragment 2: [5*]Nc1cc(Cl)ccc1Cl
### Response:
Cn1c(C(=O)Nc2cc(Cl)ccc2Cl)cc2occc21 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(C(c2ccc(Cl)cc2)=O)C[C@H](C(NCC)=O)CC[C@@H]1c1ccccc1
### Response:
CCNC(=O)[C@@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccc(Cl)cc2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=S1(C[C@@H](N(C(C[NH+]([C@@H]2CCC[C@@H](C2)C)C)=O)CCCC)CC1)=O
### Response:
CCCCN(C(=O)C[NH+](C)[C@@H]1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]1(CC(=O)N(c2ccc(cc2)Cl)C1)C(N1CC(C1)c1nc(-c2ncccn2)no1)=O
### Response:
O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CC(c2nc(-c3ncccn3)no2)C1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
C[NH2+]Cc1ccc(OC)c(C[NH+]2C[C@H](C)[C@@H](C)C2)c1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
COc1ccc(F)cc1NC(=O)N[C@H]1CCCn2nc(C(C)C)nc21
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCO/N=C(/N)c1cccnc1N1CCCCC1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1c(C(=O)Nc2ccc(F)cc2OCC(F)F)cnn1C
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [13*][C@H]1Cc2ccccc2O1
Fragment 2: [3*]O[C@@H](C)C(=O)NNC([6*])=O
### Response:
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
CC(C)N[C@@]1(C#N)CC[C@H](Oc2ccccc2F)C1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cn2)c(OC)c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cccc([C@@H](O)C[NH+]2CCC(C)(C)C2)c1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(NN)CCn1nc(c([N+](=O)[O-])c1)C
### Response:
Cc1nn(CCC(=O)NN)cc1[N+](=O)[O-] |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
[NH3+][C@H](C(=O)[O-])c1cccc(OCc2ccc(F)cc2)c1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@]1(c2cccc(Cl)c2)NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O
### Response:
2 |
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