task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN1CC(=O)Nc2cc(C(=O)N(C)CCCN3CC[NH+](C)CC3)ccc21
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C(=O)N2CCC[C@H](C(=O)OCc3csc(N(C(=O)C)c4c(cccc4)F)n3)C2)ccc(F)cc1
### Response:
CC(=O)N(c1nc(COC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cs1)c1ccccc1F |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CCCCN(C(=O)N[C@@H]1CCCCC1(C)C)[C@@H]1CCS(=O)(=O)C1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccc(-c3ncc[nH]3)cc2)o1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1noc(CC)c1CNC(=O)CCc1c[nH]c2c(C)cccc12
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
COc1ccc2nc(NC(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)sc2c1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ether group?
c1ccc(-c2csc3ncnc(Nc4ccc5c(c4)OCCO5)c23)cc1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(scc1)CN1C(=[NH+]C[C@@H]1c1cc(F)ccc1)N
### Response:
NC1=[NH+]C[C@H](c2cccc(F)c2)N1Cc1cccs1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nc(C2(NC(=O)c3ccccc3OC(F)F)CCCC2)no1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC[NH+]1CCN(C(=O)CCC(=O)N2CCc3c(c(C(=O)Nc4cccc(F)c4)nn3C)C2)CC1
### Response:
4 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
O=[N+]([O-])c1[nH]c(Br)nc1I
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H](C)C[C@H](C)NC(=O)NCc1nncn1CC
### Response:
6 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N(CCOC1)C[C@H]1CCN(C1)/C(=[NH+]\C)NCC1([NH+](C)C)CCOCC1
### Response:
C/[NH+]=C(/NCC1([NH+](C)C)CCOCC1)N1CC[C@H](CN2CCOCC2)C1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
COc1ccc(CC(=O)Nc2nnc(-c3cc4cccc(OC)c4o3)o2)cc1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Nc1nc2cccnc2n1CCOc1ccccc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
C[C@H]1CO[C@H]([C@]2(C)OC[C@H](C)O2)O1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(OCc2ncccc2)cccc1CNC(=O)c1nc2c(nc1[O-])nccc2
### Response:
O=C(NCc1cccc(OCc2ccccn2)c1)c1nc2cccnc2nc1[O-] |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1nc(N)nc([14*])c1[16*]
Fragment 2: [14*]c1cscn1
### Response:
COc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2cscn2)c([O-])c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H]1(C[C@H]2CCCC[C@@H]2[NH+]1Cc1cc(c(c(OC)c1)OCC(=O)N)OC)C
### Response:
COc1cc(C[NH+]2[C@H](C)C[C@H]3CCCC[C@@H]32)cc(OC)c1OCC(N)=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Oc1cccc(-c2nc([C@H]3CN4CCC[C@@H]4CO3)no2)c1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(NCCOc1cc(cc(c1)C)C)c1c(cc(C)cc1C)C
### Response:
Cc1cc(C)cc(OCCNC(=O)c2c(C)cc(C)cc2C)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+]1CCC([15*])(O)CC1
Fragment 2: [8*]C(F)(F)F
### Response:
C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(O)(C(F)(F)F)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C(=O)N2CCC[C@H]2CO)sc1C#CCO
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
CCC[C@H](CS)COc1ccc2c(C)cc(=O)oc2c1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
O=S(=O)(/N=C(\[N-]c1ccc(Br)cc1)C(F)(F)F)c1ccccc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]C1SC(=S)N([C@H]([8*])C)C1=O
Fragment 2: [16*]c1ccccc1
### Response:
C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2oc3cc(O)ccc3c2Cl)SC1=S |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cccc(OC)c1
Fragment 2: [5*][NH2+]C1CC1
### Response:
COc1cccc(-c2nn(C)cc2C[NH2+]C2CC2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(=O)(Nc1ccc(cc1Cl)C)CCc1nc(no1)-c1ccc(cc1)OC
### Response:
COc1ccc(-c2noc(CCC(=O)Nc3ccc(C)cc3Cl)n2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1ccc(N)c(N)n1
Fragment 2: [9*]n1cnc2cc(C)c(C)cc21
### Response:
Cc1cc2ncn(-c3ccc(N)c(N)n3)c2cc1C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COCC(=O)N[C@H]1CCCc2nc(C)ncc21
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCOC(=O)[C@H](C)NC(=O)N1CCC[C@@H]1c1cc(C(C)C)no1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC[C@@H](C)C(=O)Nc1ccc(CC(N)=O)cc1
### Response:
5 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@H]([8*])C
Fragment 2: [1*]C(=O)NC
### Response:
CNC(=O)NCC(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cc(Cl)cc(Cl)c1
Fragment 2: [1*]C(=O)C[4*]
### Response:
CC1CCN(C(=O)CNc2cc(Cl)cc(Cl)c2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1c(O)c(Cl)cc(Cl)c1Cl
Fragment 2: [1*]C(=O)c1cn(C)nc1CC
### Response:
CCc1nn(C)cc1C(=O)Nc1c(O)c(Cl)cc(Cl)c1Cl |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[NH2+]C[C@@H](C)C(=O)N(C)c1cccc(C#N)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C[C@@]2(CO1)OCC[C@H](C2)N(c1c(N)cccc1)CCC
### Response:
CCCN(c1ccccc1N)[C@@H]1CCO[C@]2(CCOC2)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCc1ccc(Nc2nnc(SCC(=O)N3CC(=O)Nc4ccccc43)s2)cc1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccccc1-c1c(nnc(SCC(NCc2ccc(cc2)F)=O)n1)-c1ccccc1
### Response:
O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NCc1ccc(F)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccc(c(c1)[N+](=O)[O-])N)C(=O)NC[C@H](Oc1ccccc1F)C
### Response:
C[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)Oc1ccccc1F |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(ccc(OC)c1)[C@@H]([NH2+][C@H](C)c1ccccn1)c1c(Cl)cccc1
### Response:
COc1ccc([C@@H]([NH2+][C@H](C)c2ccccn2)c2ccccc2Cl)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(c2ccc(CO)cc2c1Br)Br
### Response:
OCc1ccc2c(Br)ccc(Br)c2c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(-n2nnnc2N2CCN(c3ccc(O)cc3)CC2)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NC[C@@H]1CCCO1
Fragment 2: [1*]C(=O)[C@]1(C)Oc2ccccc2N(CC)C1=O
### Response:
CCN1C(=O)[C@](C)(C(=O)NC[C@@H]2CCCO2)Oc2ccccc21 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCN1C[C@H](C(=O)NNC(=O)Cc2ccccc2F)CC1=O
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(Cl)c(F)c1
Fragment 2: [1*]C(=O)c1c[nH]c(CC)n1
### Response:
CCc1nc(C(=O)N[C@@H]2CC[NH+](CC)[C@@H]2c2ccc(Cl)c(F)c2)c[nH]1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*][C@H](O)c1cccc(C)c1
Fragment 2: [8*][C@@H](O)C1(C[NH3+])CCC([15*])CC1
### Response:
Cc1cccc([C@@H](O)C2(C[NH3+])CCC(C(C)C)CC2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN/N=C/c1ccccc1F
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
O=C(c1ccccc1)c1cc(Cl)ccc1NCC(=O)N1CCN(c2ccccc2)CC1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
N#Cc1ccnc(N2CCC([NH2+]C[C@@H]3CCCO3)CC2)c1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CCOC(=O)C1CCN(C(=S)Nc2cccc(C)c2)CC1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1OC(C)C
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H]1CC(=O)N(Cc2cccc(Cl)n2)C1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1CC1
Fragment 2: [5*]Nc1ccc(C)cc1Cl
### Response:
Cc1ccc(NC(=O)CSc2nc(=O)ccn2C2CC2)c(Cl)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C1N[C@H](C2=C(CN([C@@H](C)C(=O)N3CCOCC3)C2=O)N1CC=C)c1c(cccc1)C(F)(F)F
### Response:
C=CCN1C(=O)N[C@@H](c2ccccc2C(F)(F)F)C2=C1CN([C@@H](C)C(=O)N1CCOCC1)C2=O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC([6*])=O
Fragment 2: [16*]c1c[nH]c2ccccc12
### Response:
C=CCn1c(SCC(=O)c2c[nH]c3ccccc23)nc2scc(C3CC3)c2c1=O |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)CN(Cc1cnn(C)c1)C(=O)c1cc(=O)n(C)c(=O)n1C
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(Cl)s2)C1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
COc1ccc(CCNC(=O)C2(c3cc(-c4ccc5c(c4)OCO5)on3)CC2)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(CN1CCN(c2ccccc2)C1=O)N1CCCCCC1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(NC(=O)c2ccco2)c(NC(=O)c2cccs2)c1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(NCc1cccnc1)[C@@H]1COC2(CCCCC2)N1C(=O)c1ccco1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cccc2nc(CC[C@@H]3CCC[NH2+]C3)oc12
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]1CC(C(=O)N[C@H]2C=CCCC2)C[C@H](C)O1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1Cl
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc(C[7*])cc1
Fragment 2: [3*]OCC
### Response:
CCOC(=O)/C=C/c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(C(C)=O)(CCC(N[C@H]1C[C@@H]1C)=O)Cc1ccccc1
### Response:
CC(=O)N(CCC(=O)N[C@H]1C[C@@H]1C)Cc1ccccc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[4*]
Fragment 2: [5*]NS(=O)(=O)CC
### Response:
CCS(=O)(=O)NCC(=O)NCc1cc(C)c(F)c(C)c1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
Cc1cc2ccccc2n1CCC(=O)N(CCO)[C@]1(C)CCS(=O)(=O)C1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [10*]N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2
Fragment 2: [6*]C(N)=O
### Response:
C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nc(C(C)C)[nH]c(=O)c1C(=O)N(C)CC(=O)[O-]
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
[NH3+][C@@H]1CCCC[C@H](c2cscc2Br)C1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(Br)cc(c(c1)OCC)/C=c1/s/c(n(c1=O)-c1ccccc1)=C(\C(NC)=O)C#N
### Response:
CCOc1ccc(Br)cc1/C=c1/s/c(=C(/C#N)C(=O)NC)n(-c2ccccc2)c1=O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1c(C)nc2sc(C)cn12
Fragment 2: [14*]c1nccs1
### Response:
Cc1cn2c(C[NH+](C)Cc3nccs3)c(C)nc2s1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C/C=C(/C)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(=O)(N1CCN(C(NCC#C)=O)CC1)c1ccc(C(F)(F)F)cc1
### Response:
C#CCNC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc(C)c1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1O
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(CCS(=O)([C@@H](C)[C@@H]1C)=O)C(C[C@@H](c1cccc(F)c1)O)=O
### Response:
C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)C[C@H](O)c1cccc(F)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C(=O)OC(C)C)c(NC(=O)c2ccncc2)s1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H]([NH3+])CCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+](C)C
Fragment 2: [4*]CCn1cc(N[5*])cn1
### Response:
C[NH+](C)CCn1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O([C@H]1C[C@@H](Nc2nccs2)C21CCCCC2)CC
### Response:
CCO[C@H]1C[C@@H](Nc2nccs2)C12CCCCC2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccccc1
Fragment 2: [5*]N1CC[C@@H]([NH3+])[C@@H](F)C1
### Response:
[NH3+][C@@H]1CCN(C(=O)OCc2ccccc2)C[C@@H]1F |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Fc1ccc2ncnc(NCCc3cnn(-c4ccccc4)c3)c2c1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CC(C)Oc1cccc(CNC(=O)N2CCC(C)(C)C2)c1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C[C@@H]([NH3+])CC1=c2ccccc2=[NH+]C1
Fragment 2: [5*]N1CC[NH+](C)CC1
### Response:
C[NH+]1CCN(C[C@@H]([NH3+])CC2=c3ccccc3=[NH+]C2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CSc1cccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
Cc1c(C(=O)NCCc2nc3c(s2)CCCC3)oc2c1C(=O)CC(C)(C)C2
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)c(C)n1C[C@@H]1CCCO1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1nc(n(N)c1-c1cccs1)S[C@H](C)C(=O)Nc1c(C)cccc1C(C)C
### Response:
Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1N |
functional_group | ### Instruction:
Does the molecule contain a amide group?
COCc1cc(NC(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)ncn1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
C[C@@H](Oc1ccc([N+](=O)[O-])cc1C=O)C(=O)Nc1ccc(Cl)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
NC(=S)N/N=C/Cc1nnnn1-c1ccccc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c([C@@H]([NH+]2CCN(CC2)c2ccc(cc2)Cl)C(=O)[O-])c2ccccc2[nH]1
### Response:
O=C([O-])[C@@H](c1c[nH]c2ccccc12)[NH+]1CCN(c2ccc(Cl)cc2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*][C@@H](N)C(F)(F)F
Fragment 2: [16*]c1ccc([16*])c(Cl)c1
### Response:
N[C@H](c1ccc(C(=O)[O-])cc1Cl)C(F)(F)F |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@@H](CCN1C(c1c(cccc1)OC)=O)OCCC(C)C
### Response:
COc1ccccc1C(=O)N1CC[C@@H](OCCC(C)C)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1ccc([14*])nn1
Fragment 2: [5*]Nc1ccccc1Cl
### Response:
O=C(Nc1ccccc1Cl)[C@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCC[C@H]1C=CCN1C(=O)Cc1n[nH]c(=O)[nH]1
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C=C[C@@]1(C)CC(=O)[C@]2(O)[C@@]3(C)CCCC(C)(C)[C@@H]3[C@H](O)[C@H](O)[C@@]2(C)O1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCn1cc(S(=O)(=O)NCCc2cscn2)cn1
### Response:
2 |
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