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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
151589 |
55161553 |
2 |
NC8H16 |
AB8C16 |
-50.07 |
1.89 |
-8.43 |
2.8 |
0 |
|
|
151590 |
55161559 |
1 |
NSO3C14H21 |
ABC3D14E21 |
-130.18 |
4.93 |
-9.35 |
-0.54 |
0 |
|
|
151591 |
55161562 |
1 |
ClSN6C11H11 |
ABC6D11E11 |
109.75 |
3.96 |
-8.55 |
-1.21 |
0 |
|
|
151592 |
55161563 |
1 |
ON6C11H16 |
AB6C11D16 |
24.28 |
3.15 |
-8.96 |
-0.35 |
0 |
|
|
151593 |
55161568 |
1 |
ClSN4C13H17 |
ABC4D13E17 |
47.81 |
4.16 |
-8.83 |
-1.1 |
0 |
|
|
151594 |
55161573 |
1 |
BSO5C11H17 |
ABC5D11E17 |
-270.74 |
6.55 |
-8.99 |
-0.22 |
0 |
|
|
151595 |
55161580 |
1 |
ClSO3C13H15 |
ABC3D13E15 |
-65.63 |
5.87 |
-9.35 |
-0.61 |
0 |
|
|
151596 |
55161581 |
1 |
ClFSO3C13H14 |
ABCD3E13F14 |
-115.85 |
3.23 |
-8.95 |
-0.74 |
0 |
|
|
151597 |
55161584 |
1 |
SN2O3C11H18 |
AB2C3D11E18 |
-115.89 |
2.07 |
-9.63 |
-0.02 |
0 |
|
|
151598 |
55161597 |
1 |
ClOF2H11C14 |
ABC2D11E14 |
-111.86 |
1.71 |
-9.32 |
-0.56 |
0 |
|
|
151599 |
55161599 |
1 |
ClN3C13H16 |
AB3C13D16 |
37.16 |
2.85 |
-9.03 |
-0.07 |
0 |
|
|
151600 |
55161600 |
1 |
ClN3C15H20 |
AB3C15D20 |
23.16 |
5.38 |
-9.09 |
0.03 |
0 |
|
|
151601 |
55161606 |
1 |
NSO3C13H19 |
ABC3D13E19 |
-118.8 |
4.21 |
-9.83 |
-0.67 |
0 |
|
|
151602 |
55161607 |
1 |
N3C14H19 |
A3B14C19 |
37.28 |
5.57 |
-9.29 |
-0.91 |
0 |
|
|
151603 |
55161612 |
1 |
OSN3C12H17 |
ABC3D12E17 |
-4.79 |
1.87 |
-9.19 |
-0.91 |
0 |
|
|
151604 |
55161621 |
1 |
N3O4C12H17 |
A3B4C12D17 |
-11.11 |
7.33 |
-9.45 |
-1.67 |
0 |
|
|
151605 |
55161629 |
1 |
SN2O2C14H24 |
AB2C2D14E24 |
-80.07 |
2.6 |
-8.9 |
-0.26 |
0 |
|
|
151606 |
55161631 |
1 |
FN2O2C12H17 |
AB2C2D12E17 |
-49.71 |
3.68 |
-9.22 |
-1.24 |
0 |
|
|
151607 |
55161633 |
1 |
SN2O3C13H14 |
AB2C3D13E14 |
-72.21 |
3.77 |
-9.61 |
-1.09 |
0 |
|
|
151608 |
55161636 |
1 |
SF3O3C11H13 |
AB3C3D11E13 |
-274.65 |
4.83 |
-10.27 |
-1.07 |
0 |
|
|
151609 |
55161639 |
1 |
BrN2C14H17 |
AB2C14D17 |
29.84 |
5.27 |
-8.26 |
-0.89 |
0 |
|
|
151610 |
55161660 |
1 |
N2O4H12C13 |
A2B4C12D13 |
-84.96 |
5.12 |
-9.29 |
-0.93 |
0 |
|
|
151611 |
55161665 |
1 |
OSN3C13H21 |
ABC3D13E21 |
-28.92 |
3.08 |
-8.4 |
-0.42 |
0 |
|
|
151612 |
55161673 |
1 |
ClON3C13H18 |
ABC3D13E18 |
-19.31 |
3.87 |
-9.02 |
-0.92 |
0 |
|
|
151613 |
55161679 |
1 |
ON4C12H24 |
AB4C12D24 |
-48.71 |
5.05 |
-8.64 |
1.17 |
0 |
|
|
151614 |
55161689 |
1 |
FON2C15H21 |
ABC2D15E21 |
-85.31 |
5.57 |
-9.04 |
-0.21 |
0 |
|
|
151615 |
55161692 |
1 |
ON2C14H22 |
AB2C14D22 |
-53.16 |
5.0 |
-8.34 |
0.12 |
0 |
|
|
151616 |
55161698 |
1 |
ON2C16H24 |
AB2C16D24 |
-52.15 |
4.81 |
-8.44 |
0.02 |
0 |
|
|
151617 |
55161699 |
1 |
ON2C16H26 |
AB2C16D26 |
-65.3 |
5.02 |
-8.32 |
0.06 |
0 |
|
|
151618 |
55161702 |
1 |
ON4C14H18 |
AB4C14D18 |
8.16 |
6.8 |
-8.35 |
0.04 |
0 |
|
|
151619 |
55161709 |
1 |
ClFNOH11C14 |
ABCDE11F14 |
-58.2 |
5.21 |
-9.18 |
-0.81 |
0 |
|
|
151620 |
55161712 |
1 |
FN2O2C14H15 |
AB2C2D14E15 |
-61.09 |
2.41 |
-9.68 |
-0.41 |
0 |
|
|
151621 |
55161715 |
1 |
FON3C14H14 |
ABC3D14E14 |
-33.87 |
2.76 |
-9.33 |
-0.45 |
0 |
|
|
151622 |
55161719 |
1 |
BF3O4C11H14 |
AB3C4D11E14 |
-380.15 |
5.28 |
-8.9 |
0.09 |
0 |
|
|
151623 |
55161724 |
1 |
BrClNO2H11C14 |
ABCD2E11F14 |
-44.02 |
3.43 |
-9.79 |
-0.89 |
0 |
|
|
151624 |
55161728 |
1 |
ClON2C13H17 |
ABC2D13E17 |
-53.54 |
2.32 |
-8.6 |
-0.36 |
0 |
|
|
151625 |
55161730 |
1 |
ON3C14H23 |
AB3C14D23 |
-53.22 |
0.95 |
-8.02 |
0.48 |
0 |
|
|
151626 |
55161749 |
1 |
ON2C14H24 |
AB2C14D24 |
-40.62 |
2.14 |
-8.66 |
0.68 |
0 |
|
|
151627 |
55161757 |
1 |
O2N5C12H17 |
A2B5C12D17 |
-15.79 |
2.26 |
-9.09 |
-0.54 |
0 |
|
|
151628 |
55161762 |
1 |
S2N7C9H9 |
A2B7C9D9 |
137.24 |
3.78 |
-9.0 |
-1.05 |
0 |
|
|
151629 |
55161766 |
1 |
ClON5C12H16 |
ABC5D12E16 |
17.63 |
1.07 |
-8.99 |
-0.98 |
0 |
|
|
151630 |
55161770 |
1 |
NSO3C13H21 |
ABC3D13E21 |
-121.79 |
5.38 |
-8.73 |
0.34 |
0 |
|
|
151631 |
55161806 |
2 |
ON2C6H11 |
AB2C6D11 |
-55.89 |
3.8 |
-8.88 |
-0.48 |
0 |
|
|
151632 |
56242090 |
1 |
NO4C25H27 |
AB4C25D27 |
-103.52 |
5.13 |
-9.06 |
-0.27 |
0 |
|
|
151633 |
56242091 |
1 |
O2S2N3H13C18 |
A2B2C3D13E18 |
50.57 |
5.09 |
-8.75 |
-1.33 |
0 |
|
|
151634 |
56242093 |
1 |
OF4N6C19H20 |
AB4C6D19E20 |
-141.56 |
1.54 |
-9.12 |
-1.38 |
0 |
|
|
151635 |
56242097 |
1 |
SO2N4H20C23 |
AB2C4D20E23 |
16.95 |
11.28 |
-9.36 |
-1.42 |
0 |
|
|
151636 |
56242104 |
1 |
SO2N4H16C21 |
AB2C4D16E21 |
52.72 |
5.28 |
-8.91 |
-1.34 |
0 |
|
|
151637 |
56242105 |
1 |
ClOF4N5H18C21 |
ABC4D5E18F21 |
-142.28 |
4.24 |
-8.34 |
-1.54 |
0 |
|
|
151638 |
56242106 |
2 |
OF2N2H9C10 |
AB2C2D9E10 |
-186.32 |
4.39 |
-8.96 |
-1.29 |
0 |
|
|
151639 |
56242111 |
1 |
O2F4N5H21C22 |
A2B4C5D21E22 |
-196.86 |
4.94 |
-9.11 |
-1.55 |
0 |
|
|
151640 |
56242174 |
1 |
OF4N5H21C22 |
AB4C5D21E22 |
-136.3 |
2.88 |
-8.86 |
-1.35 |
0 |
|
|
151641 |
56242184 |
1 |
OF4N6C23H24 |
AB4C6D23E24 |
-124.52 |
4.36 |
-8.84 |
-1.33 |
0 |
|
|
151642 |
56242185 |
1 |
OSF4N5H11C18 |
ABC4D5E11F18 |
-102.39 |
2.01 |
-9.29 |
-1.33 |
0 |
|
|
151643 |
56260873 |
1 |
O2N4H20C21 |
A2B4C20D21 |
30.89 |
7.98 |
-8.82 |
-0.72 |
0 |
|
|
151644 |
56260874 |
1 |
O2N5C16H19 |
A2B5C16D19 |
12.6 |
4.92 |
-9.15 |
-0.79 |
0 |
|
|
151645 |
56260875 |
1 |
O2N5C24H25 |
A2B5C24D25 |
14.29 |
9.65 |
-9.02 |
-0.62 |
0 |
|
|
151646 |
56260939 |
1 |
SO2N3H19C20 |
AB2C3D19E20 |
17.36 |
4.5 |
-8.22 |
-0.39 |
0 |
|
|
151647 |
56260948 |
1 |
BrO2N5H16C17 |
AB2C5D16E17 |
74.63 |
4.14 |
-9.98 |
-1.16 |
0 |
|
|
151648 |
56260955 |
1 |
N2O4C25H28 |
A2B4C25D28 |
-74.74 |
3.58 |
-8.68 |
-0.4 |
0 |
|
|
151649 |
56260960 |
1 |
N2O4C21H22 |
A2B4C21D22 |
-73.54 |
3.37 |
-8.87 |
-0.31 |
0 |
|
|
151650 |
56260975 |
1 |
O3N4F5H15C19 |
A3B4C5D15E19 |
-251.25 |
4.14 |
-8.62 |
-1.59 |
0 |
|
|
151651 |
56260982 |
1 |
OF4N6H14C20 |
AB4C6D14E20 |
-88.31 |
2.28 |
-9.1 |
-1.59 |
0 |
|
|
151652 |
56260992 |
2 |
ON2C11H12 |
AB2C11D12 |
51.12 |
2.4 |
-8.54 |
-0.1 |
0 |
|
|
151653 |
56260997 |
1 |
BrS2N4O5C14H15 |
AB2C4D5E14F15 |
-148.33 |
3.46 |
-9.14 |
-1.33 |
0 |
|
|
151654 |
56260998 |
1 |
SN2O2F3H19C23 |
AB2C2D3E19F23 |
-113.46 |
2.11 |
-8.84 |
-1.41 |
0 |
|
|
151655 |
56261002 |
1 |
O2N4C15H18 |
A2B4C15D18 |
-6.41 |
4.03 |
-9.0 |
-0.57 |
0 |
|
|
151656 |
56261005 |
1 |
BrCl2N2O3H11C15 |
AB2C2D3E11F15 |
-72.42 |
2.61 |
-9.83 |
-1.56 |
0 |
|
|
151657 |
56261008 |
1 |
N5O5C16H21 |
A5B5C16D21 |
-78.95 |
2.83 |
-10.16 |
-1.52 |
0 |
|
|
151658 |
56261010 |
1 |
N3O3C25H29 |
A3B3C25D29 |
-63.21 |
6.09 |
-8.7 |
-0.48 |
0 |
|
|
151659 |
56261017 |
1 |
ON5C21H25 |
AB5C21D25 |
31.3 |
5.7 |
-9.17 |
-0.89 |
0 |
|
|
151660 |
56261021 |
1 |
SN3O4H19C21 |
AB3C4D19E21 |
-13.92 |
7.23 |
-8.6 |
-1.06 |
0 |
|
|
151661 |
56261022 |
1 |
N2O2Cl4H12C17 |
A2B2C4D12E17 |
12.34 |
3.35 |
-8.93 |
-1.63 |
0 |
|
|
151662 |
56261030 |
1 |
BrN2S2O5C16H25 |
AB2C2D5E16F25 |
-225.79 |
4.77 |
-9.0 |
-0.43 |
0 |
|
|
151663 |
56261034 |
1 |
SN4O4C22H32 |
AB4C4D22E32 |
-115.2 |
5.39 |
-9.11 |
-0.73 |
0 |
|
|
151664 |
56261035 |
1 |
O3N4H22C24 |
A3B4C22D24 |
34.54 |
5.48 |
-8.68 |
-0.89 |
0 |
|
|
151665 |
56261038 |
1 |
BrO4N5C21H22 |
AB4C5D21E22 |
-95.04 |
11.86 |
-9.35 |
-0.97 |
0 |
|
|
151666 |
56261040 |
1 |
BrSO2N3H14C17 |
ABC2D3E14F17 |
31.41 |
5.22 |
-9.14 |
-1.0 |
0 |
|
|
151667 |
56261042 |
1 |
ClNOC16H22 |
ABCD16E22 |
-70.77 |
3.3 |
-9.39 |
-0.22 |
0 |
|
|
151668 |
56261048 |
1 |
O3N6C25H30 |
A3B6C25D30 |
-17.06 |
5.96 |
-8.58 |
-0.8 |
0 |
|
|
151669 |
56261053 |
1 |
N2O3C23H26 |
A2B3C23D26 |
-42.25 |
2.91 |
-8.93 |
-0.19 |
0 |
|
|
151670 |
56261064 |
1 |
SN2O4C24H28 |
AB2C4D24E28 |
-76.08 |
2.8 |
-8.81 |
-0.79 |
0 |
|
|
151671 |
56261070 |
1 |
NBr2O4H15C16 |
AB2C4D15E16 |
-128.39 |
3.09 |
-9.46 |
-0.46 |
0 |
|
|
151672 |
56261077 |
1 |
OSF2N6H12C15 |
ABC2D6E12F15 |
21.66 |
8.79 |
-9.68 |
-1.34 |
0 |
|
|
151673 |
56261081 |
1 |
N3O3C23H31 |
A3B3C23D31 |
-102.57 |
8.55 |
-8.28 |
-0.22 |
0 |
|
|
151674 |
56261082 |
1 |
BrN2O3C21H23 |
AB2C3D21E23 |
-68.36 |
5.61 |
-9.56 |
-0.31 |
0 |
|
|
151675 |
56261085 |
1 |
NO4C22H23 |
AB4C22D23 |
-45.15 |
4.73 |
-8.43 |
-0.76 |
0 |
|
|
151676 |
56261089 |
1 |
N2O3C23H24 |
A2B3C23D24 |
-4.81 |
3.08 |
-8.83 |
-0.71 |
0 |
|
|
151677 |
56261093 |
1 |
BrN2S2O6C17H19 |
AB2C2D6E17F19 |
-208.84 |
4.11 |
-9.1 |
-0.56 |
0 |
|
|
151678 |
56261096 |
1 |
SN3O4C21H25 |
AB3C4D21E25 |
-64.19 |
6.86 |
-8.92 |
-0.32 |
0 |
|
|
151679 |
56261102 |
1 |
BrN3O5H16C18 |
AB3C5D16E18 |
-136.75 |
6.77 |
-9.56 |
-1.32 |
0 |
|
|
151680 |
56261104 |
1 |
BrN2O3H17C19 |
AB2C3D17E19 |
-31.93 |
6.7 |
-8.63 |
-0.58 |
0 |
|
|
151681 |
56261108 |
1 |
SN4O5C17H18 |
AB4C5D17E18 |
-85.89 |
6.98 |
-9.67 |
-1.21 |
0 |
|
|
151682 |
56261110 |
1 |
N2O4C21H26 |
A2B4C21D26 |
-137.21 |
6.99 |
-8.23 |
-0.6 |
0 |
|
|
151683 |
56261114 |
1 |
O2N4C25H30 |
A2B4C25D30 |
-38.12 |
6.58 |
-9.0 |
-0.31 |
0 |
|
|
151684 |
56261117 |
1 |
SN3O3H23C25 |
AB3C3D23E25 |
29.21 |
3.52 |
-8.81 |
-1.0 |
0 |
|
|
151685 |
56261126 |
1 |
BrN2S2O6C17H19 |
AB2C2D6E17F19 |
-199.94 |
4.44 |
-9.18 |
-0.56 |
0 |
|
|
151686 |
56261127 |
1 |
NO4C21H21 |
AB4C21D21 |
-58.97 |
3.0 |
-8.78 |
-0.66 |
0 |
|
|
151687 |
56261128 |
1 |
SN2O2H18C21 |
AB2C2D18E21 |
59.91 |
3.35 |
-8.92 |
-1.29 |
0 |
|
|
151688 |
56261132 |
1 |
ClN2O3H19C20 |
AB2C3D19E20 |
-78.64 |
4.14 |
-9.3 |
-1.24 |
0 |