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Medex_RDKit_Properties_1M

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rdkit_prop_0
C[C@@H](C(=O)O)N(C)C1=CCCCC1
Molecular Weight
What is the Molecular Weight of <SMILES>C[C@@H](C(=O)O)N(C)C1=CCCCC1</SMILES>? Answer:
183.25
rdkit_prop_1
C[C@@H](C(=O)O)N(C)C1=CCCCC1
LogP
What is the LogP of <SMILES>C[C@@H](C(=O)O)N(C)C1=CCCCC1</SMILES>? Answer:
1.85
rdkit_prop_2
C[C@@H](C(=O)O)N(C)C1=CCCCC1
Number of Atoms
What is the Number of Atoms in <SMILES>C[C@@H](C(=O)O)N(C)C1=CCCCC1</SMILES>? Answer:
13
rdkit_prop_3
C[C@@H](C(=O)O)N(C)C1=CCCCC1
Number of Heavy Atoms
What is the Number of Heavy Atoms in <SMILES>C[C@@H](C(=O)O)N(C)C1=CCCCC1</SMILES>? Answer:
13
rdkit_prop_4
C[C@@H](C(=O)O)N(C)C1=CCCCC1
Number of Rings
What is the Number of Rings in <SMILES>C[C@@H](C(=O)O)N(C)C1=CCCCC1</SMILES>? Answer:
1
rdkit_prop_5
C[C@@H](C(=O)O)N(C)C1=CCCCC1
Number of Aromatic Rings
What is the Number of Aromatic Rings in <SMILES>C[C@@H](C(=O)O)N(C)C1=CCCCC1</SMILES>? Answer:
0
rdkit_prop_6
C[C@@H](C(=O)O)N(C)C1=CCCCC1
Number of Rotatable Bonds
What is the Number of Rotatable Bonds in <SMILES>C[C@@H](C(=O)O)N(C)C1=CCCCC1</SMILES>? Answer:
3
rdkit_prop_7
C[C@@H](C(=O)O)N(C)C1=CCCCC1
Number of H-Bond Donors
What is the Number of H-Bond Donors in <SMILES>C[C@@H](C(=O)O)N(C)C1=CCCCC1</SMILES>? Answer:
1
rdkit_prop_8
C[C@@H](C(=O)O)N(C)C1=CCCCC1
Number of H-Bond Acceptors
What is the Number of H-Bond Acceptors in <SMILES>C[C@@H](C(=O)O)N(C)C1=CCCCC1</SMILES>? Answer:
2
rdkit_prop_9
C[C@@H](C(=O)O)N(C)C1=CCCCC1
TPSA
What is the TPSA of <SMILES>C[C@@H](C(=O)O)N(C)C1=CCCCC1</SMILES>? Answer:
40.54
rdkit_prop_10
C[C@@H](C(=O)O)N(C)C1=CCCCC1
Formal Charge
What is the Formal Charge of <SMILES>C[C@@H](C(=O)O)N(C)C1=CCCCC1</SMILES>? Answer:
0
rdkit_prop_11
CCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)([O-])OC(C[N+](C)(C)C)C(=O)CCCCCCCCCCCCCCC
Molecular Weight
What is the Molecular Weight of <SMILES>CCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)([O-])OC(C[N+](C)(C)C)C(=O)CCCCCCCCCCCCCCC</SMILES>? Answer:
686.01
rdkit_prop_12
CCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)([O-])OC(C[N+](C)(C)C)C(=O)CCCCCCCCCCCCCCC
LogP
What is the LogP of <SMILES>CCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)([O-])OC(C[N+](C)(C)C)C(=O)CCCCCCCCCCCCCCC</SMILES>? Answer:
11.18
rdkit_prop_13
CCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)([O-])OC(C[N+](C)(C)C)C(=O)CCCCCCCCCCCCCCC
Number of Atoms
What is the Number of Atoms in <SMILES>CCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)([O-])OC(C[N+](C)(C)C)C(=O)CCCCCCCCCCCCCCC</SMILES>? Answer:
47
rdkit_prop_14
CCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)([O-])OC(C[N+](C)(C)C)C(=O)CCCCCCCCCCCCCCC
Number of Heavy Atoms
What is the Number of Heavy Atoms in <SMILES>CCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)([O-])OC(C[N+](C)(C)C)C(=O)CCCCCCCCCCCCCCC</SMILES>? Answer:
47
rdkit_prop_15
CCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)([O-])OC(C[N+](C)(C)C)C(=O)CCCCCCCCCCCCCCC
Number of Rings
What is the Number of Rings in <SMILES>CCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)([O-])OC(C[N+](C)(C)C)C(=O)CCCCCCCCCCCCCCC</SMILES>? Answer:
0
rdkit_prop_16
CCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)([O-])OC(C[N+](C)(C)C)C(=O)CCCCCCCCCCCCCCC
Number of Aromatic Rings
What is the Number of Aromatic Rings in <SMILES>CCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)([O-])OC(C[N+](C)(C)C)C(=O)CCCCCCCCCCCCCCC</SMILES>? Answer:
0
rdkit_prop_17
CCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)([O-])OC(C[N+](C)(C)C)C(=O)CCCCCCCCCCCCCCC
Number of Rotatable Bonds
What is the Number of Rotatable Bonds in <SMILES>CCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)([O-])OC(C[N+](C)(C)C)C(=O)CCCCCCCCCCCCCCC</SMILES>? Answer:
35
rdkit_prop_18
CCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)([O-])OC(C[N+](C)(C)C)C(=O)CCCCCCCCCCCCCCC
Number of H-Bond Donors
What is the Number of H-Bond Donors in <SMILES>CCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)([O-])OC(C[N+](C)(C)C)C(=O)CCCCCCCCCCCCCCC</SMILES>? Answer:
0
rdkit_prop_19
CCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)([O-])OC(C[N+](C)(C)C)C(=O)CCCCCCCCCCCCCCC
Number of H-Bond Acceptors
What is the Number of H-Bond Acceptors in <SMILES>CCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)([O-])OC(C[N+](C)(C)C)C(=O)CCCCCCCCCCCCCCC</SMILES>? Answer:
6
rdkit_prop_20
CCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)([O-])OC(C[N+](C)(C)C)C(=O)CCCCCCCCCCCCCCC
TPSA
What is the TPSA of <SMILES>CCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)([O-])OC(C[N+](C)(C)C)C(=O)CCCCCCCCCCCCCCC</SMILES>? Answer:
92.73
rdkit_prop_21
CCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)([O-])OC(C[N+](C)(C)C)C(=O)CCCCCCCCCCCCCCC
Formal Charge
What is the Formal Charge of <SMILES>CCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)([O-])OC(C[N+](C)(C)C)C(=O)CCCCCCCCCCCCCCC</SMILES>? Answer:
0
rdkit_prop_22
CSCC[C@H](N)CC(=O)O
Molecular Weight
What is the Molecular Weight of <SMILES>CSCC[C@H](N)CC(=O)O</SMILES>? Answer:
163.24
rdkit_prop_23
CSCC[C@H](N)CC(=O)O
LogP
What is the LogP of <SMILES>CSCC[C@H](N)CC(=O)O</SMILES>? Answer:
0.54
rdkit_prop_24
CSCC[C@H](N)CC(=O)O
Number of Atoms
What is the Number of Atoms in <SMILES>CSCC[C@H](N)CC(=O)O</SMILES>? Answer:
10
rdkit_prop_25
CSCC[C@H](N)CC(=O)O
Number of Heavy Atoms
What is the Number of Heavy Atoms in <SMILES>CSCC[C@H](N)CC(=O)O</SMILES>? Answer:
10
rdkit_prop_26
CSCC[C@H](N)CC(=O)O
Number of Rings
What is the Number of Rings in <SMILES>CSCC[C@H](N)CC(=O)O</SMILES>? Answer:
0
rdkit_prop_27
CSCC[C@H](N)CC(=O)O
Number of Aromatic Rings
What is the Number of Aromatic Rings in <SMILES>CSCC[C@H](N)CC(=O)O</SMILES>? Answer:
0
rdkit_prop_28
CSCC[C@H](N)CC(=O)O
Number of Rotatable Bonds
What is the Number of Rotatable Bonds in <SMILES>CSCC[C@H](N)CC(=O)O</SMILES>? Answer:
5
rdkit_prop_29
CSCC[C@H](N)CC(=O)O
Number of H-Bond Donors
What is the Number of H-Bond Donors in <SMILES>CSCC[C@H](N)CC(=O)O</SMILES>? Answer:
2
rdkit_prop_30
CSCC[C@H](N)CC(=O)O
Number of H-Bond Acceptors
What is the Number of H-Bond Acceptors in <SMILES>CSCC[C@H](N)CC(=O)O</SMILES>? Answer:
3
rdkit_prop_31
CSCC[C@H](N)CC(=O)O
TPSA
What is the TPSA of <SMILES>CSCC[C@H](N)CC(=O)O</SMILES>? Answer:
63.32
rdkit_prop_32
CSCC[C@H](N)CC(=O)O
Formal Charge
What is the Formal Charge of <SMILES>CSCC[C@H](N)CC(=O)O</SMILES>? Answer:
0
rdkit_prop_33
O=C(CCCCCCC(=O)ON1C(=O)CC(S(=O)(=O)O)C1=O)ON1C(=O)CC(S(=O)(=O)O)C1=O.[Na]
Molecular Weight
What is the Molecular Weight of <SMILES>O=C(CCCCCCC(=O)ON1C(=O)CC(S(=O)(=O)O)C1=O)ON1C(=O)CC(S(=O)(=O)O)C1=O.[Na]</SMILES>? Answer:
551.46
rdkit_prop_34
O=C(CCCCCCC(=O)ON1C(=O)CC(S(=O)(=O)O)C1=O)ON1C(=O)CC(S(=O)(=O)O)C1=O.[Na]
LogP
What is the LogP of <SMILES>O=C(CCCCCCC(=O)ON1C(=O)CC(S(=O)(=O)O)C1=O)ON1C(=O)CC(S(=O)(=O)O)C1=O.[Na]</SMILES>? Answer:
-2.11
rdkit_prop_35
O=C(CCCCCCC(=O)ON1C(=O)CC(S(=O)(=O)O)C1=O)ON1C(=O)CC(S(=O)(=O)O)C1=O.[Na]
Number of Atoms
What is the Number of Atoms in <SMILES>O=C(CCCCCCC(=O)ON1C(=O)CC(S(=O)(=O)O)C1=O)ON1C(=O)CC(S(=O)(=O)O)C1=O.[Na]</SMILES>? Answer:
35
rdkit_prop_36
O=C(CCCCCCC(=O)ON1C(=O)CC(S(=O)(=O)O)C1=O)ON1C(=O)CC(S(=O)(=O)O)C1=O.[Na]
Number of Heavy Atoms
What is the Number of Heavy Atoms in <SMILES>O=C(CCCCCCC(=O)ON1C(=O)CC(S(=O)(=O)O)C1=O)ON1C(=O)CC(S(=O)(=O)O)C1=O.[Na]</SMILES>? Answer:
35
rdkit_prop_37
O=C(CCCCCCC(=O)ON1C(=O)CC(S(=O)(=O)O)C1=O)ON1C(=O)CC(S(=O)(=O)O)C1=O.[Na]
Number of Rings
What is the Number of Rings in <SMILES>O=C(CCCCCCC(=O)ON1C(=O)CC(S(=O)(=O)O)C1=O)ON1C(=O)CC(S(=O)(=O)O)C1=O.[Na]</SMILES>? Answer:
2
rdkit_prop_38
O=C(CCCCCCC(=O)ON1C(=O)CC(S(=O)(=O)O)C1=O)ON1C(=O)CC(S(=O)(=O)O)C1=O.[Na]
Number of Aromatic Rings
What is the Number of Aromatic Rings in <SMILES>O=C(CCCCCCC(=O)ON1C(=O)CC(S(=O)(=O)O)C1=O)ON1C(=O)CC(S(=O)(=O)O)C1=O.[Na]</SMILES>? Answer:
0
rdkit_prop_39
O=C(CCCCCCC(=O)ON1C(=O)CC(S(=O)(=O)O)C1=O)ON1C(=O)CC(S(=O)(=O)O)C1=O.[Na]
Number of Rotatable Bonds
What is the Number of Rotatable Bonds in <SMILES>O=C(CCCCCCC(=O)ON1C(=O)CC(S(=O)(=O)O)C1=O)ON1C(=O)CC(S(=O)(=O)O)C1=O.[Na]</SMILES>? Answer:
11
rdkit_prop_40
O=C(CCCCCCC(=O)ON1C(=O)CC(S(=O)(=O)O)C1=O)ON1C(=O)CC(S(=O)(=O)O)C1=O.[Na]
Number of H-Bond Donors
What is the Number of H-Bond Donors in <SMILES>O=C(CCCCCCC(=O)ON1C(=O)CC(S(=O)(=O)O)C1=O)ON1C(=O)CC(S(=O)(=O)O)C1=O.[Na]</SMILES>? Answer:
2
rdkit_prop_41
O=C(CCCCCCC(=O)ON1C(=O)CC(S(=O)(=O)O)C1=O)ON1C(=O)CC(S(=O)(=O)O)C1=O.[Na]
Number of H-Bond Acceptors
What is the Number of H-Bond Acceptors in <SMILES>O=C(CCCCCCC(=O)ON1C(=O)CC(S(=O)(=O)O)C1=O)ON1C(=O)CC(S(=O)(=O)O)C1=O.[Na]</SMILES>? Answer:
12
rdkit_prop_42
O=C(CCCCCCC(=O)ON1C(=O)CC(S(=O)(=O)O)C1=O)ON1C(=O)CC(S(=O)(=O)O)C1=O.[Na]
TPSA
What is the TPSA of <SMILES>O=C(CCCCCCC(=O)ON1C(=O)CC(S(=O)(=O)O)C1=O)ON1C(=O)CC(S(=O)(=O)O)C1=O.[Na]</SMILES>? Answer:
236.1
rdkit_prop_43
O=C(CCCCCCC(=O)ON1C(=O)CC(S(=O)(=O)O)C1=O)ON1C(=O)CC(S(=O)(=O)O)C1=O.[Na]
Formal Charge
What is the Formal Charge of <SMILES>O=C(CCCCCCC(=O)ON1C(=O)CC(S(=O)(=O)O)C1=O)ON1C(=O)CC(S(=O)(=O)O)C1=O.[Na]</SMILES>? Answer:
0
rdkit_prop_44
O=C(CCc1ccc(Br)cc1)OCc1ccccc1
Molecular Weight
What is the Molecular Weight of <SMILES>O=C(CCc1ccc(Br)cc1)OCc1ccccc1</SMILES>? Answer:
319.2
rdkit_prop_45
O=C(CCc1ccc(Br)cc1)OCc1ccccc1
LogP
What is the LogP of <SMILES>O=C(CCc1ccc(Br)cc1)OCc1ccccc1</SMILES>? Answer:
4.13
rdkit_prop_46
O=C(CCc1ccc(Br)cc1)OCc1ccccc1
Number of Atoms
What is the Number of Atoms in <SMILES>O=C(CCc1ccc(Br)cc1)OCc1ccccc1</SMILES>? Answer:
19
rdkit_prop_47
O=C(CCc1ccc(Br)cc1)OCc1ccccc1
Number of Heavy Atoms
What is the Number of Heavy Atoms in <SMILES>O=C(CCc1ccc(Br)cc1)OCc1ccccc1</SMILES>? Answer:
19
rdkit_prop_48
O=C(CCc1ccc(Br)cc1)OCc1ccccc1
Number of Rings
What is the Number of Rings in <SMILES>O=C(CCc1ccc(Br)cc1)OCc1ccccc1</SMILES>? Answer:
2
rdkit_prop_49
O=C(CCc1ccc(Br)cc1)OCc1ccccc1
Number of Aromatic Rings
What is the Number of Aromatic Rings in <SMILES>O=C(CCc1ccc(Br)cc1)OCc1ccccc1</SMILES>? Answer:
2
rdkit_prop_50
O=C(CCc1ccc(Br)cc1)OCc1ccccc1
Number of Rotatable Bonds
What is the Number of Rotatable Bonds in <SMILES>O=C(CCc1ccc(Br)cc1)OCc1ccccc1</SMILES>? Answer:
5
rdkit_prop_51
O=C(CCc1ccc(Br)cc1)OCc1ccccc1
Number of H-Bond Donors
What is the Number of H-Bond Donors in <SMILES>O=C(CCc1ccc(Br)cc1)OCc1ccccc1</SMILES>? Answer:
0
rdkit_prop_52
O=C(CCc1ccc(Br)cc1)OCc1ccccc1
Number of H-Bond Acceptors
What is the Number of H-Bond Acceptors in <SMILES>O=C(CCc1ccc(Br)cc1)OCc1ccccc1</SMILES>? Answer:
2
rdkit_prop_53
O=C(CCc1ccc(Br)cc1)OCc1ccccc1
TPSA
What is the TPSA of <SMILES>O=C(CCc1ccc(Br)cc1)OCc1ccccc1</SMILES>? Answer:
26.3
rdkit_prop_54
O=C(CCc1ccc(Br)cc1)OCc1ccccc1
Formal Charge
What is the Formal Charge of <SMILES>O=C(CCc1ccc(Br)cc1)OCc1ccccc1</SMILES>? Answer:
0
rdkit_prop_55
CCCCCCCCCCCCCCCC[Si](C)(OC)O[Si](C)(C)C
Molecular Weight
What is the Molecular Weight of <SMILES>CCCCCCCCCCCCCCCC[Si](C)(OC)O[Si](C)(C)C</SMILES>? Answer:
388.79
rdkit_prop_56
CCCCCCCCCCCCCCCC[Si](C)(OC)O[Si](C)(C)C
LogP
What is the LogP of <SMILES>CCCCCCCCCCCCCCCC[Si](C)(OC)O[Si](C)(C)C</SMILES>? Answer:
8.04
rdkit_prop_57
CCCCCCCCCCCCCCCC[Si](C)(OC)O[Si](C)(C)C
Number of Atoms
What is the Number of Atoms in <SMILES>CCCCCCCCCCCCCCCC[Si](C)(OC)O[Si](C)(C)C</SMILES>? Answer:
25
rdkit_prop_58
CCCCCCCCCCCCCCCC[Si](C)(OC)O[Si](C)(C)C
Number of Heavy Atoms
What is the Number of Heavy Atoms in <SMILES>CCCCCCCCCCCCCCCC[Si](C)(OC)O[Si](C)(C)C</SMILES>? Answer:
25
rdkit_prop_59
CCCCCCCCCCCCCCCC[Si](C)(OC)O[Si](C)(C)C
Number of Rings
What is the Number of Rings in <SMILES>CCCCCCCCCCCCCCCC[Si](C)(OC)O[Si](C)(C)C</SMILES>? Answer:
0
rdkit_prop_60
CCCCCCCCCCCCCCCC[Si](C)(OC)O[Si](C)(C)C
Number of Aromatic Rings
What is the Number of Aromatic Rings in <SMILES>CCCCCCCCCCCCCCCC[Si](C)(OC)O[Si](C)(C)C</SMILES>? Answer:
0
rdkit_prop_61
CCCCCCCCCCCCCCCC[Si](C)(OC)O[Si](C)(C)C
Number of Rotatable Bonds
What is the Number of Rotatable Bonds in <SMILES>CCCCCCCCCCCCCCCC[Si](C)(OC)O[Si](C)(C)C</SMILES>? Answer:
18
rdkit_prop_62
CCCCCCCCCCCCCCCC[Si](C)(OC)O[Si](C)(C)C
Number of H-Bond Donors
What is the Number of H-Bond Donors in <SMILES>CCCCCCCCCCCCCCCC[Si](C)(OC)O[Si](C)(C)C</SMILES>? Answer:
0
rdkit_prop_63
CCCCCCCCCCCCCCCC[Si](C)(OC)O[Si](C)(C)C
Number of H-Bond Acceptors
What is the Number of H-Bond Acceptors in <SMILES>CCCCCCCCCCCCCCCC[Si](C)(OC)O[Si](C)(C)C</SMILES>? Answer:
2
rdkit_prop_64
CCCCCCCCCCCCCCCC[Si](C)(OC)O[Si](C)(C)C
TPSA
What is the TPSA of <SMILES>CCCCCCCCCCCCCCCC[Si](C)(OC)O[Si](C)(C)C</SMILES>? Answer:
18.46
rdkit_prop_65
CCCCCCCCCCCCCCCC[Si](C)(OC)O[Si](C)(C)C
Formal Charge
What is the Formal Charge of <SMILES>CCCCCCCCCCCCCCCC[Si](C)(OC)O[Si](C)(C)C</SMILES>? Answer:
0
rdkit_prop_66
CC(C)(C)c1c2nc(c(C(C)(C)C)c3ccc([nH]3)c(C(C)(C)C)c3nc(c(C(C)(C)C)c4ccc1[nH]4)C=C3)C=C2.[Cu+2]
Molecular Weight
What is the Molecular Weight of <SMILES>CC(C)(C)c1c2nc(c(C(C)(C)C)c3ccc([nH]3)c(C(C)(C)C)c3nc(c(C(C)(C)C)c4ccc1[nH]4)C=C3)C=C2.[Cu+2]</SMILES>? Answer:
598.34
rdkit_prop_67
CC(C)(C)c1c2nc(c(C(C)(C)C)c3ccc([nH]3)c(C(C)(C)C)c3nc(c(C(C)(C)C)c4ccc1[nH]4)C=C3)C=C2.[Cu+2]
LogP
What is the LogP of <SMILES>CC(C)(C)c1c2nc(c(C(C)(C)C)c3ccc([nH]3)c(C(C)(C)C)c3nc(c(C(C)(C)C)c4ccc1[nH]4)C=C3)C=C2.[Cu+2]</SMILES>? Answer:
9.84
rdkit_prop_68
CC(C)(C)c1c2nc(c(C(C)(C)C)c3ccc([nH]3)c(C(C)(C)C)c3nc(c(C(C)(C)C)c4ccc1[nH]4)C=C3)C=C2.[Cu+2]
Number of Atoms
What is the Number of Atoms in <SMILES>CC(C)(C)c1c2nc(c(C(C)(C)C)c3ccc([nH]3)c(C(C)(C)C)c3nc(c(C(C)(C)C)c4ccc1[nH]4)C=C3)C=C2.[Cu+2]</SMILES>? Answer:
41
rdkit_prop_69
CC(C)(C)c1c2nc(c(C(C)(C)C)c3ccc([nH]3)c(C(C)(C)C)c3nc(c(C(C)(C)C)c4ccc1[nH]4)C=C3)C=C2.[Cu+2]
Number of Heavy Atoms
What is the Number of Heavy Atoms in <SMILES>CC(C)(C)c1c2nc(c(C(C)(C)C)c3ccc([nH]3)c(C(C)(C)C)c3nc(c(C(C)(C)C)c4ccc1[nH]4)C=C3)C=C2.[Cu+2]</SMILES>? Answer:
41
rdkit_prop_70
CC(C)(C)c1c2nc(c(C(C)(C)C)c3ccc([nH]3)c(C(C)(C)C)c3nc(c(C(C)(C)C)c4ccc1[nH]4)C=C3)C=C2.[Cu+2]
Number of Rings
What is the Number of Rings in <SMILES>CC(C)(C)c1c2nc(c(C(C)(C)C)c3ccc([nH]3)c(C(C)(C)C)c3nc(c(C(C)(C)C)c4ccc1[nH]4)C=C3)C=C2.[Cu+2]</SMILES>? Answer:
5
rdkit_prop_71
CC(C)(C)c1c2nc(c(C(C)(C)C)c3ccc([nH]3)c(C(C)(C)C)c3nc(c(C(C)(C)C)c4ccc1[nH]4)C=C3)C=C2.[Cu+2]
Number of Aromatic Rings
What is the Number of Aromatic Rings in <SMILES>CC(C)(C)c1c2nc(c(C(C)(C)C)c3ccc([nH]3)c(C(C)(C)C)c3nc(c(C(C)(C)C)c4ccc1[nH]4)C=C3)C=C2.[Cu+2]</SMILES>? Answer:
3
rdkit_prop_72
CC(C)(C)c1c2nc(c(C(C)(C)C)c3ccc([nH]3)c(C(C)(C)C)c3nc(c(C(C)(C)C)c4ccc1[nH]4)C=C3)C=C2.[Cu+2]
Number of Rotatable Bonds
What is the Number of Rotatable Bonds in <SMILES>CC(C)(C)c1c2nc(c(C(C)(C)C)c3ccc([nH]3)c(C(C)(C)C)c3nc(c(C(C)(C)C)c4ccc1[nH]4)C=C3)C=C2.[Cu+2]</SMILES>? Answer:
0
rdkit_prop_73
CC(C)(C)c1c2nc(c(C(C)(C)C)c3ccc([nH]3)c(C(C)(C)C)c3nc(c(C(C)(C)C)c4ccc1[nH]4)C=C3)C=C2.[Cu+2]
Number of H-Bond Donors
What is the Number of H-Bond Donors in <SMILES>CC(C)(C)c1c2nc(c(C(C)(C)C)c3ccc([nH]3)c(C(C)(C)C)c3nc(c(C(C)(C)C)c4ccc1[nH]4)C=C3)C=C2.[Cu+2]</SMILES>? Answer:
2
rdkit_prop_74
CC(C)(C)c1c2nc(c(C(C)(C)C)c3ccc([nH]3)c(C(C)(C)C)c3nc(c(C(C)(C)C)c4ccc1[nH]4)C=C3)C=C2.[Cu+2]
Number of H-Bond Acceptors
What is the Number of H-Bond Acceptors in <SMILES>CC(C)(C)c1c2nc(c(C(C)(C)C)c3ccc([nH]3)c(C(C)(C)C)c3nc(c(C(C)(C)C)c4ccc1[nH]4)C=C3)C=C2.[Cu+2]</SMILES>? Answer:
2
rdkit_prop_75
CC(C)(C)c1c2nc(c(C(C)(C)C)c3ccc([nH]3)c(C(C)(C)C)c3nc(c(C(C)(C)C)c4ccc1[nH]4)C=C3)C=C2.[Cu+2]
TPSA
What is the TPSA of <SMILES>CC(C)(C)c1c2nc(c(C(C)(C)C)c3ccc([nH]3)c(C(C)(C)C)c3nc(c(C(C)(C)C)c4ccc1[nH]4)C=C3)C=C2.[Cu+2]</SMILES>? Answer:
57.36
rdkit_prop_76
CC(C)(C)c1c2nc(c(C(C)(C)C)c3ccc([nH]3)c(C(C)(C)C)c3nc(c(C(C)(C)C)c4ccc1[nH]4)C=C3)C=C2.[Cu+2]
Formal Charge
What is the Formal Charge of <SMILES>CC(C)(C)c1c2nc(c(C(C)(C)C)c3ccc([nH]3)c(C(C)(C)C)c3nc(c(C(C)(C)C)c4ccc1[nH]4)C=C3)C=C2.[Cu+2]</SMILES>? Answer:
2
rdkit_prop_77
C[C@H]1C(=O)c2cc3c(cc2CCN(C)Cc2c1ccc1c2OCO1)OCO3
Molecular Weight
What is the Molecular Weight of <SMILES>C[C@H]1C(=O)c2cc3c(cc2CCN(C)Cc2c1ccc1c2OCO1)OCO3</SMILES>? Answer:
367.4
rdkit_prop_78
C[C@H]1C(=O)c2cc3c(cc2CCN(C)Cc2c1ccc1c2OCO1)OCO3
LogP
What is the LogP of <SMILES>C[C@H]1C(=O)c2cc3c(cc2CCN(C)Cc2c1ccc1c2OCO1)OCO3</SMILES>? Answer:
3.12
rdkit_prop_79
C[C@H]1C(=O)c2cc3c(cc2CCN(C)Cc2c1ccc1c2OCO1)OCO3
Number of Atoms
What is the Number of Atoms in <SMILES>C[C@H]1C(=O)c2cc3c(cc2CCN(C)Cc2c1ccc1c2OCO1)OCO3</SMILES>? Answer:
27
rdkit_prop_80
C[C@H]1C(=O)c2cc3c(cc2CCN(C)Cc2c1ccc1c2OCO1)OCO3
Number of Heavy Atoms
What is the Number of Heavy Atoms in <SMILES>C[C@H]1C(=O)c2cc3c(cc2CCN(C)Cc2c1ccc1c2OCO1)OCO3</SMILES>? Answer:
27
rdkit_prop_81
C[C@H]1C(=O)c2cc3c(cc2CCN(C)Cc2c1ccc1c2OCO1)OCO3
Number of Rings
What is the Number of Rings in <SMILES>C[C@H]1C(=O)c2cc3c(cc2CCN(C)Cc2c1ccc1c2OCO1)OCO3</SMILES>? Answer:
5
rdkit_prop_82
C[C@H]1C(=O)c2cc3c(cc2CCN(C)Cc2c1ccc1c2OCO1)OCO3
Number of Aromatic Rings
What is the Number of Aromatic Rings in <SMILES>C[C@H]1C(=O)c2cc3c(cc2CCN(C)Cc2c1ccc1c2OCO1)OCO3</SMILES>? Answer:
2
rdkit_prop_83
C[C@H]1C(=O)c2cc3c(cc2CCN(C)Cc2c1ccc1c2OCO1)OCO3
Number of Rotatable Bonds
What is the Number of Rotatable Bonds in <SMILES>C[C@H]1C(=O)c2cc3c(cc2CCN(C)Cc2c1ccc1c2OCO1)OCO3</SMILES>? Answer:
0
rdkit_prop_84
C[C@H]1C(=O)c2cc3c(cc2CCN(C)Cc2c1ccc1c2OCO1)OCO3
Number of H-Bond Donors
What is the Number of H-Bond Donors in <SMILES>C[C@H]1C(=O)c2cc3c(cc2CCN(C)Cc2c1ccc1c2OCO1)OCO3</SMILES>? Answer:
0
rdkit_prop_85
C[C@H]1C(=O)c2cc3c(cc2CCN(C)Cc2c1ccc1c2OCO1)OCO3
Number of H-Bond Acceptors
What is the Number of H-Bond Acceptors in <SMILES>C[C@H]1C(=O)c2cc3c(cc2CCN(C)Cc2c1ccc1c2OCO1)OCO3</SMILES>? Answer:
6
rdkit_prop_86
C[C@H]1C(=O)c2cc3c(cc2CCN(C)Cc2c1ccc1c2OCO1)OCO3
TPSA
What is the TPSA of <SMILES>C[C@H]1C(=O)c2cc3c(cc2CCN(C)Cc2c1ccc1c2OCO1)OCO3</SMILES>? Answer:
57.23
rdkit_prop_87
C[C@H]1C(=O)c2cc3c(cc2CCN(C)Cc2c1ccc1c2OCO1)OCO3
Formal Charge
What is the Formal Charge of <SMILES>C[C@H]1C(=O)c2cc3c(cc2CCN(C)Cc2c1ccc1c2OCO1)OCO3</SMILES>? Answer:
0
rdkit_prop_88
O=C1CN(c2ccccc2)C(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1
Molecular Weight
What is the Molecular Weight of <SMILES>O=C1CN(c2ccccc2)C(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1</SMILES>? Answer:
772.97
rdkit_prop_89
O=C1CN(c2ccccc2)C(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1
LogP
What is the LogP of <SMILES>O=C1CN(c2ccccc2)C(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1</SMILES>? Answer:
-4.14
rdkit_prop_90
O=C1CN(c2ccccc2)C(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1
Number of Atoms
What is the Number of Atoms in <SMILES>O=C1CN(c2ccccc2)C(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1</SMILES>? Answer:
48
rdkit_prop_91
O=C1CN(c2ccccc2)C(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1
Number of Heavy Atoms
What is the Number of Heavy Atoms in <SMILES>O=C1CN(c2ccccc2)C(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1</SMILES>? Answer:
48
rdkit_prop_92
O=C1CN(c2ccccc2)C(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1
Number of Rings
What is the Number of Rings in <SMILES>O=C1CN(c2ccccc2)C(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1</SMILES>? Answer:
7
rdkit_prop_93
O=C1CN(c2ccccc2)C(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1
Number of Aromatic Rings
What is the Number of Aromatic Rings in <SMILES>O=C1CN(c2ccccc2)C(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1</SMILES>? Answer:
1
rdkit_prop_94
O=C1CN(c2ccccc2)C(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1
Number of Rotatable Bonds
What is the Number of Rotatable Bonds in <SMILES>O=C1CN(c2ccccc2)C(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1</SMILES>? Answer:
1
rdkit_prop_95
O=C1CN(c2ccccc2)C(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1
Number of H-Bond Donors
What is the Number of H-Bond Donors in <SMILES>O=C1CN(c2ccccc2)C(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1</SMILES>? Answer:
11
rdkit_prop_96
O=C1CN(c2ccccc2)C(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1
Number of H-Bond Acceptors
What is the Number of H-Bond Acceptors in <SMILES>O=C1CN(c2ccccc2)C(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1</SMILES>? Answer:
12
rdkit_prop_97
O=C1CN(c2ccccc2)C(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1
TPSA
What is the TPSA of <SMILES>O=C1CN(c2ccccc2)C(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1</SMILES>? Answer:
237.99
rdkit_prop_98
O=C1CN(c2ccccc2)C(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1
Formal Charge
What is the Formal Charge of <SMILES>O=C1CN(c2ccccc2)C(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1.O=C1CNC(=S)N1</SMILES>? Answer:
0
rdkit_prop_99
C[N+](C)(C)CCO.O=P([O-])([O-])OP(=O)([O-])O.[Mg+2]
Molecular Weight
What is the Molecular Weight of <SMILES>C[N+](C)(C)CCO.O=P([O-])([O-])OP(=O)([O-])O.[Mg+2]</SMILES>? Answer:
303.43
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