List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
212545 |
81060912 |
1 |
BrFN3H11C14 |
ABC3D11E14 |
24.84 |
3.97 |
-9.27 |
-1.1 |
0 |
|
|
212546 |
81060914 |
1 |
ClN3H12C14 |
AB3C12D14 |
57.83 |
5.21 |
-9.11 |
-0.79 |
0 |
|
|
212547 |
81060920 |
3 |
NC6H7 |
AB6C7 |
54.06 |
5.12 |
-8.94 |
-0.33 |
0 |
|
|
212548 |
81060923 |
1 |
N4C15H16 |
A4B15C16 |
78.98 |
2.47 |
-9.13 |
-0.52 |
0 |
|
|
212549 |
81060924 |
1 |
N3C17H23 |
A3B17C23 |
15.85 |
4.67 |
-8.87 |
-0.33 |
0 |
|
|
212550 |
81060927 |
1 |
N3C16H23 |
A3B16C23 |
17.73 |
5.75 |
-8.72 |
-0.21 |
0 |
|
|
212551 |
81060936 |
2 |
N2C8H13 |
A2B8C13 |
22.74 |
4.53 |
-8.69 |
-0.23 |
0 |
|
|
212552 |
81060939 |
1 |
FN3H14C15 |
AB3C14D15 |
23.08 |
3.42 |
-9.09 |
-0.63 |
0 |
|
|
212553 |
81060955 |
1 |
N3C16H23 |
A3B16C23 |
7.38 |
4.88 |
-9.0 |
-0.3 |
0 |
|
|
212554 |
81060960 |
1 |
BrClN3H11C14 |
ABC3D11E14 |
63.79 |
2.3 |
-9.21 |
-1.06 |
0 |
|
|
212555 |
81060964 |
1 |
ON5C13H13 |
AB5C13D13 |
54.6 |
5.67 |
-9.67 |
-1.43 |
0 |
|
|
212556 |
81060965 |
1 |
ON2C15H20 |
AB2C15D20 |
-24.87 |
5.51 |
-9.72 |
-0.52 |
0 |
|
|
212557 |
81060976 |
1 |
ClOSN3C15H16 |
ABCD3E15F16 |
-2.5 |
3.09 |
-8.7 |
-0.68 |
0 |
|
|
212558 |
81060980 |
1 |
SO2N3C11H15 |
AB2C3D11E15 |
-62.6 |
2.52 |
-8.72 |
-0.58 |
0 |
|
|
212559 |
81060981 |
1 |
FSN3C15H16 |
ABC3D15E16 |
-0.94 |
4.01 |
-8.64 |
-0.39 |
0 |
|
|
212560 |
81060989 |
1 |
N3O3C14H21 |
A3B3C14D21 |
-144.6 |
4.2 |
-8.73 |
-0.03 |
0 |
|
|
212561 |
81060992 |
1 |
N3O4C14H19 |
A3B4C14D19 |
-174.44 |
3.46 |
-9.1 |
-0.36 |
0 |
|
|
212562 |
81061008 |
1 |
N3C16H17 |
A3B16C17 |
64.2 |
4.64 |
-8.77 |
-0.33 |
0 |
|
|
212563 |
81061013 |
1 |
N3C14H19 |
A3B14C19 |
28.81 |
5.47 |
-8.75 |
-0.23 |
0 |
|
|
212564 |
81061019 |
1 |
ON4C12H16 |
AB4C12D16 |
-9.72 |
8.17 |
-9.12 |
-0.36 |
0 |
|
|
212565 |
81061024 |
1 |
BrN3C16H16 |
AB3C16D16 |
68.86 |
5.31 |
-9.02 |
-0.54 |
0 |
|
|
212566 |
81061029 |
1 |
O2N3C13H17 |
A2B3C13D17 |
-60.81 |
5.9 |
-9.31 |
-0.5 |
0 |
|
|
212567 |
81061032 |
1 |
FON3H14C15 |
ABC3D14E15 |
-20.49 |
4.05 |
-8.98 |
-0.65 |
0 |
|
|
212568 |
81061033 |
1 |
ON4C15H20 |
AB4C15D20 |
-7.62 |
4.81 |
-9.08 |
-0.71 |
0 |
|
|
212569 |
81061042 |
1 |
ON3C14H19 |
AB3C14D19 |
-14.06 |
5.12 |
-9.17 |
-0.41 |
0 |
|
|
212570 |
81061044 |
1 |
ON3C11H15 |
AB3C11D15 |
-14.0 |
3.77 |
-9.22 |
-0.46 |
0 |
|
|
212571 |
81061045 |
1 |
OSN3C16H19 |
ABC3D16E19 |
-0.33 |
4.36 |
-8.39 |
-0.31 |
0 |
|
|
212572 |
81061046 |
1 |
SN3C17H21 |
AB3C17D21 |
43.16 |
6.66 |
-8.48 |
-0.57 |
0 |
|
|
212573 |
81061047 |
1 |
ON4C14H22 |
AB4C14D22 |
-1.97 |
4.2 |
-9.05 |
-0.32 |
0 |
|
|
212574 |
81061057 |
1 |
ON4C13H16 |
AB4C13D16 |
-8.18 |
4.48 |
-9.3 |
-0.53 |
0 |
|
|
212575 |
81061058 |
1 |
N3C16H23 |
A3B16C23 |
5.33 |
5.42 |
-9.04 |
-0.31 |
0 |
|
|
212576 |
81061068 |
1 |
S2N4C15H20 |
A2B4C15D20 |
36.61 |
3.75 |
-8.74 |
-0.83 |
0 |
|
|
212577 |
81061072 |
2 |
NOC7H9 |
ABC7D9 |
-51.31 |
4.48 |
-9.93 |
-0.64 |
0 |
|
|
212578 |
81061073 |
1 |
FON2H11C14 |
ABC2D11E14 |
-8.05 |
1.74 |
-9.94 |
-0.73 |
0 |
|
|
212579 |
81061074 |
1 |
ClON2H13C15 |
ABC2D13E15 |
17.61 |
3.54 |
-9.53 |
-0.79 |
0 |
|
|
212580 |
81061079 |
2 |
NOC6H7 |
ABC6D7 |
-41.98 |
4.29 |
-10.0 |
-0.75 |
0 |
|
|
212581 |
81061087 |
1 |
OSN4C12H16 |
ABC4D12E16 |
-10.55 |
8.52 |
-8.65 |
-0.71 |
0 |
|
|
212582 |
81061088 |
1 |
O2N3C13H15 |
A2B3C13D15 |
-34.61 |
2.53 |
-9.27 |
-0.56 |
0 |
|
|
212583 |
81061091 |
1 |
SO3N4C13H14 |
AB3C4D13E14 |
-80.82 |
5.81 |
-9.58 |
-1.29 |
0 |
|
|
212584 |
81061092 |
1 |
SO2N4C14H14 |
AB2C4D14E14 |
-10.4 |
8.04 |
-9.6 |
-1.62 |
0 |
|
|
212585 |
81061094 |
1 |
O2N3C15H19 |
A2B3C15D19 |
-57.8 |
0.48 |
-9.14 |
-0.52 |
0 |
|
|
212586 |
81061097 |
1 |
N3C12H17 |
A3B12C17 |
14.8 |
5.29 |
-9.02 |
-0.27 |
0 |
|
|
212587 |
81061101 |
1 |
N4C17H26 |
A4B17C26 |
15.5 |
5.67 |
-8.81 |
-0.22 |
0 |
|
|
212588 |
81061102 |
1 |
N4C17H28 |
A4B17C28 |
8.6 |
6.71 |
-8.8 |
-0.23 |
0 |
|
|
212589 |
81061104 |
3 |
NC6H7 |
AB6C7 |
55.17 |
5.01 |
-8.85 |
-0.26 |
0 |
|
|
212590 |
81061113 |
2 |
N2C8H9 |
A2B8C9 |
70.91 |
4.6 |
-9.13 |
-0.55 |
0 |
|
|
212591 |
81061115 |
1 |
N3C14H21 |
A3B14C21 |
17.64 |
4.99 |
-8.75 |
-0.29 |
0 |
|
|
212592 |
81061123 |
1 |
N3C13H19 |
A3B13C19 |
13.09 |
5.26 |
-8.94 |
-0.26 |
0 |
|
|
212593 |
81061128 |
1 |
Br2N3H11C14 |
A2B3C11D14 |
68.46 |
3.58 |
-9.2 |
-1.09 |
0 |
|
|
212594 |
81061137 |
1 |
N3C14H21 |
A3B14C21 |
17.2 |
5.48 |
-8.69 |
-0.2 |
0 |