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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
448656 |
135292542 |
1 |
ClSO2N9C20H26 |
ABC2D9E20F26 |
35.63 |
2.85 |
-8.42 |
-0.95 |
0 |
|
|
448657 |
135292543 |
1 |
O2N3C12H25 |
A2B3C12D25 |
-108.44 |
3.86 |
-8.68 |
0.92 |
0 |
|
|
448658 |
135292567 |
1 |
SO2N3C8H19 |
AB2C3D8E19 |
-86.26 |
3.74 |
-8.36 |
0.55 |
0 |
|
|
448659 |
135292576 |
1 |
O2N3C9H17 |
A2B3C9D17 |
-85.56 |
4.87 |
-9.4 |
0.78 |
0 |
|
|
448660 |
135292592 |
1 |
ClON2C18H21 |
ABC2D18E21 |
25.85 |
2.33 |
-8.92 |
-0.31 |
0 |
|
|
448661 |
135292615 |
1 |
ON4C15H26 |
AB4C15D26 |
-40.11 |
5.3 |
-8.85 |
-0.38 |
0 |
|
|
448662 |
135292626 |
1 |
N12O13C44H66 |
A12B13C44D66 |
-553.69 |
12.72 |
-8.42 |
-0.55 |
0 |
|
|
448663 |
135292627 |
1 |
O2N8C23H30 |
A2B8C23D30 |
-2.43 |
4.09 |
-9.0 |
-1.02 |
0 |
|
|
448665 |
135292636 |
1 |
IN2C12H17 |
AB2C12D17 |
38.68 |
0.74 |
-8.56 |
-1.45 |
0 |
|
|
448666 |
135292645 |
1 |
O2N9C25H31 |
A2B9C25D31 |
32.65 |
4.12 |
-8.76 |
-0.85 |
0 |
|
|
448667 |
135292652 |
1 |
N12O13C45H70 |
A12B13C45D70 |
-482.15 |
10.33 |
-9.28 |
-0.32 |
0 |
|
|
448668 |
135292676 |
1 |
FOC11H13 |
ABC11D13 |
-64.41 |
3.25 |
-9.1 |
-0.1 |
0 |
|
|
448669 |
135292677 |
1 |
N12O13C42H66 |
A12B13C42D66 |
-487.38 |
26.67 |
-7.31 |
-3.81 |
0 |
|
|
448670 |
135292688 |
1 |
N12O13C47H72 |
A12B13C47D72 |
-530.87 |
3.09 |
-7.7 |
-1.29 |
0 |
|
|
448671 |
135292690 |
1 |
N12O13C42H64 |
A12B13C42D64 |
-546.42 |
4.6 |
-8.57 |
-0.45 |
0 |
|
|
448672 |
135292693 |
1 |
F2S2N3O3C17H19 |
A2B2C3D3E17F19 |
-159.33 |
1.11 |
-9.34 |
-1.39 |
0 |
|
|
448673 |
135292714 |
1 |
N11O13C46H71 |
A11B13C46D71 |
-641.31 |
5.96 |
-9.13 |
-0.1 |
0 |
|
|
448674 |
135292717 |
1 |
N12O13C44H68 |
A12B13C44D68 |
-531.87 |
4.37 |
-8.94 |
-0.5 |
0 |
|
|
448675 |
135292738 |
1 |
N2O2C9H18 |
A2B2C9D18 |
-121.66 |
1.3 |
-9.91 |
0.73 |
0 |
|
|
448676 |
135292757 |
1 |
NO2C13H17 |
AB2C13D17 |
-54.87 |
0.51 |
-8.75 |
0.0 |
0 |
|
|
448677 |
135292760 |
1 |
N4O7C27H36 |
A4B7C27D36 |
-240.81 |
7.05 |
-9.04 |
-0.52 |
0 |
|
|
448678 |
135292764 |
1 |
N4O11C27H36 |
A4B11C27D36 |
-431.51 |
6.04 |
-8.18 |
-0.76 |
0 |
|
|
448679 |
135292765 |
1 |
NCl2C14H19 |
AB2C14D19 |
-17.33 |
2.36 |
-8.78 |
-0.37 |
0 |
|
|
448680 |
135292767 |
1 |
NF2H9C11 |
AB2C9D11 |
6.85 |
1.62 |
-9.39 |
-0.49 |
0 |
|
|
448681 |
135292780 |
1 |
N3O5C26H31 |
A3B5C26D31 |
-150.07 |
6.63 |
-8.73 |
-0.67 |
0 |
|
|
448682 |
135292783 |
1 |
NO3C42H85 |
AB3C42D85 |
-281.26 |
2.77 |
-8.89 |
1.47 |
0 |
|
|
448683 |
135292784 |
1 |
FNOC10H10 |
ABCD10E10 |
-15.73 |
2.37 |
-9.3 |
-0.34 |
0 |
|
|
448684 |
135292788 |
1 |
O2C13H18 |
A2B13C18 |
-73.37 |
3.03 |
-8.61 |
0.06 |
0 |
|
|
448685 |
135292802 |
1 |
F2C13H16 |
A2B13C16 |
-79.3 |
3.25 |
-9.64 |
-0.24 |
0 |
|
|
448686 |
135292803 |
1 |
O2F3N7C25H34 |
A2B3C7D25E34 |
-155.99 |
6.42 |
-8.88 |
-0.38 |
0 |
|
|
448687 |
135292805 |
2 |
N2O4C13H17 |
A2B4C13D17 |
-277.81 |
1.46 |
-8.46 |
-0.92 |
0 |
|
|
448688 |
135292806 |
1 |
F2S2N3O4C16H19 |
A2B2C3D4E16F19 |
-227.4 |
2.75 |
-9.32 |
-1.41 |
0 |
|
|
448690 |
135292808 |
1 |
NF2C17H21 |
AB2C17D21 |
-72.77 |
5.15 |
-8.29 |
0.09 |
0 |
|
|
448691 |
135292811 |
1 |
N3O7C25H27 |
A3B7C25D27 |
-248.74 |
7.15 |
-9.05 |
-1.09 |
0 |
|
|
448692 |
135292823 |
1 |
N2O3C44H90 |
A2B3C44D90 |
-304.46 |
1.76 |
-7.84 |
1.2 |
0 |
|
|
448693 |
135292828 |
1 |
N3O3F4C18H21 |
A3B3C4D18E21 |
-280.76 |
3.84 |
-8.08 |
-1.28 |
0 |
|
|
448694 |
135292832 |
1 |
N3O7C14H15 |
A3B7C14D15 |
-258.32 |
5.51 |
-9.04 |
-1.61 |
0 |
|
|
448695 |
135292836 |
1 |
N4O13C26H32 |
A4B13C26D32 |
-521.63 |
4.25 |
-9.13 |
-0.37 |
0 |
|
|
448696 |
135292839 |
1 |
NO2C39H81 |
AB2C39D81 |
-256.53 |
3.62 |
-7.94 |
2.18 |
0 |
|
|
448697 |
135292844 |
1 |
N3O13C26H33 |
A3B13C26D33 |
-484.6 |
5.35 |
-8.9 |
-1.25 |
0 |
|
|
448698 |
135292853 |
1 |
N3O7C13H13 |
A3B7C13D13 |
-274.69 |
4.12 |
-8.96 |
-1.13 |
0 |
|
|
448699 |
135292856 |
1 |
N3O16C26H33 |
A3B16C26D33 |
-601.95 |
3.07 |
-8.53 |
-1.33 |
0 |
|
|
448700 |
135292858 |
1 |
N4O8C25H28 |
A4B8C25D28 |
-293.74 |
5.65 |
-8.46 |
-0.78 |
0 |
|
|
448701 |
135292863 |
1 |
N3O14C26H31 |
A3B14C26D31 |
-560.96 |
5.09 |
-9.33 |
-0.89 |
0 |
|
|
448702 |
135292865 |
1 |
N4O15C26H32 |
A4B15C26D32 |
-609.13 |
2.79 |
-9.2 |
-1.0 |
0 |
|
|
448703 |
135292867 |
1 |
ON2F3H11C14 |
AB2C3D11E14 |
-163.34 |
8.01 |
-8.6 |
-1.2 |
0 |
|
|
448704 |
135292875 |
1 |
NO4C52H105 |
AB4C52D105 |
-413.06 |
2.53 |
-9.63 |
0.67 |
0 |
|
|
448705 |
135292898 |
1 |
NO3C45H91 |
AB3C45D91 |
-303.19 |
2.52 |
-8.89 |
1.47 |
0 |
|
|
448706 |
135292910 |
1 |
NO2C60H123 |
AB2C60D123 |
-358.0 |
0.85 |
-8.35 |
2.2 |
0 |
|
|
448707 |
135292912 |
1 |
O3N4C21H24 |
A3B4C21D24 |
-82.5 |
4.26 |
-8.79 |
-0.22 |
0 |
|
|
448708 |
135292914 |
1 |
NO3C43H87 |
AB3C43D87 |
-280.45 |
2.89 |
-9.18 |
1.25 |
0 |
|
|
448709 |
135292922 |
1 |
F3N4O4C33H35 |
A3B4C4D33E35 |
-220.75 |
2.21 |
-8.97 |
-1.3 |
0 |
|
|
448710 |
135292923 |
1 |
OF3N3C14H16 |
AB3C3D14E16 |
-171.41 |
8.12 |
-9.52 |
-0.15 |
0 |
|
|
448711 |
135292925 |
2 |
NC4H5 |
AB4C5 |
50.0 |
0.96 |
-9.85 |
-0.32 |
0 |
|
|
448712 |
135292927 |
1 |
OF3N6C27H31 |
AB3C6D27E31 |
-128.36 |
9.21 |
-8.88 |
-1.1 |
0 |
|
|
448713 |
135292929 |
1 |
NC19H37 |
AB19C37 |
-66.49 |
1.02 |
-8.68 |
1.28 |
0 |
|
|
448714 |
135292933 |
1 |
O2N3C18H27 |
A2B3C18D27 |
-92.39 |
1.89 |
-8.52 |
0.11 |
0 |
|
|
448715 |
135292934 |
2 |
N2O2C14H15 |
A2B2C14D15 |
-89.38 |
2.86 |
-8.61 |
-0.07 |
0 |
|
|
448716 |
135292936 |
1 |
OF3N4C23H29 |
AB3C4D23E29 |
-149.71 |
6.71 |
-8.51 |
-0.03 |
0 |
|
|
448717 |
135292952 |
1 |
N3O3C13H21 |
A3B3C13D21 |
-11.99 |
6.86 |
-9.01 |
-1.26 |
0 |
|
|
448718 |
135292958 |
1 |
IOSC4H9 |
ABCD4E9 |
-41.86 |
3.22 |
-9.14 |
-1.34 |
0 |
|
|
448719 |
135292998 |
1 |
N2O4H18C23 |
A2B4C18D23 |
-64.85 |
5.37 |
-8.67 |
-1.96 |
0 |
|
|
448721 |
135293009 |
1 |
SO5C10H12 |
AB5C10D12 |
-196.84 |
6.37 |
-9.55 |
-1.15 |
0 |
|
|
448722 |
135293029 |
1 |
SO2F3N4H19C25 |
AB2C3D4E19F25 |
-89.43 |
10.8 |
-8.93 |
-1.64 |
0 |
|
|
448723 |
135293031 |
1 |
PN4O4C29H57 |
AB4C4D29E57 |
-294.77 |
5.77 |
-8.6 |
0.48 |
0 |
|
|
448724 |
135293034 |
1 |
OSF3N6C24H25 |
ABC3D6E24F25 |
-68.87 |
11.85 |
-8.69 |
-1.71 |
0 |
|
|
448725 |
135293036 |
1 |
OSF3N6C25H27 |
ABC3D6E25F27 |
-83.72 |
13.04 |
-8.57 |
-1.47 |
0 |
|
|
448726 |
135293039 |
1 |
OSF3N6C28H33 |
ABC3D6E28F33 |
-90.12 |
13.82 |
-8.6 |
-1.46 |
0 |
|
|
448727 |
135293042 |
1 |
OSN2H14C15 |
ABC2D14E15 |
50.56 |
6.06 |
-8.97 |
-1.33 |
0 |
|
|
448728 |
135293046 |
1 |
SO2F4N6C27H28 |
AB2C4D6E27F28 |
-179.2 |
14.68 |
-9.15 |
-1.72 |
0 |
|
|
448729 |
135293061 |
1 |
SO2F4N6C27H28 |
AB2C4D6E27F28 |
-162.07 |
10.14 |
-9.21 |
-1.56 |
0 |
|
|
448730 |
135293069 |
1 |
SO2F5C12H13 |
AB2C5D12E13 |
-329.62 |
3.18 |
-9.03 |
-0.49 |
0 |
|
|
448731 |
135293070 |
1 |
SO3F4N4H16C21 |
AB3C4D4E16F21 |
-192.51 |
12.3 |
-9.33 |
-2.0 |
0 |
|
|
448732 |
135293071 |
1 |
SO2F4N5H27C29 |
AB2C4D5E27F29 |
-163.43 |
10.44 |
-9.3 |
-1.36 |
0 |
|
|
448733 |
135293077 |
1 |
SO3F4N5H23C24 |
AB3C4D5E23F24 |
-232.26 |
10.44 |
-9.51 |
-1.63 |
0 |
|
|
448734 |
135293114 |
1 |
NC14H17 |
AB14C17 |
32.22 |
3.21 |
-9.1 |
-0.2 |
0 |
|
|
448735 |
135293119 |
1 |
NSO2C10H15 |
ABC2D10E15 |
-75.24 |
8.79 |
-8.74 |
-0.16 |
0 |
|
|
448736 |
135293124 |
1 |
N3O6C14H17 |
A3B6C14D17 |
-176.98 |
2.61 |
-9.78 |
-1.68 |
0 |
|
|
448737 |
135293134 |
1 |
O3C20H28 |
A3B20C28 |
-111.71 |
3.91 |
-9.14 |
-0.92 |
0 |
|
|
448738 |
135293152 |
1 |
N2O2C17H18 |
A2B2C17D18 |
-41.03 |
3.39 |
-9.69 |
-0.14 |
0 |
|
|
448739 |
135293155 |
1 |
ON2C16H28 |
AB2C16D28 |
-21.65 |
1.96 |
-8.6 |
0.54 |
0 |
|
|
448740 |
135293162 |
1 |
ON6C14H14 |
AB6C14D14 |
46.78 |
3.47 |
-8.73 |
-0.73 |
0 |
|
|
448741 |
135293165 |
1 |
N5C8H11 |
A5B8C11 |
67.0 |
1.83 |
-8.23 |
-0.22 |
0 |
|
|
448742 |
135293177 |
1 |
ClON4H27C32 |
ABC4D27E32 |
112.08 |
6.41 |
-8.37 |
-0.55 |
0 |
|
|
448743 |
135293189 |
1 |
ON6C18H24 |
AB6C18D24 |
5.77 |
4.65 |
-9.13 |
-0.35 |
0 |
|
|
448744 |
135293230 |
1 |
OCl2N6C16H18 |
AB2C6D16E18 |
-4.18 |
4.24 |
-9.42 |
-0.6 |
0 |
|
|
448745 |
135293239 |
1 |
OSN6C10H16 |
ABC6D10E16 |
-3.34 |
6.09 |
-8.99 |
-0.24 |
0 |
|
|
448746 |
135293246 |
1 |
O3N6C20H24 |
A3B6C20D24 |
-46.12 |
3.37 |
-8.69 |
-0.8 |
0 |
|
|
448747 |
135293248 |
1 |
ClON6C15H17 |
ABC6D15E17 |
0.87 |
2.73 |
-9.41 |
-0.5 |
0 |
|
|
448748 |
135293256 |
1 |
FON7C15H18 |
ABC7D15E18 |
-9.66 |
7.95 |
-9.2 |
-0.8 |
0 |
|
|
448749 |
135293259 |
1 |
O2N6C15H18 |
A2B6C15D18 |
-19.04 |
3.03 |
-8.92 |
-0.44 |
0 |
|
|
448750 |
135293298 |
1 |
O2N5F7H20C23 |
A2B5C7D20E23 |
-300.29 |
4.34 |
-8.72 |
-0.87 |
0 |
|
|
448751 |
135293303 |
1 |
SN2O2C7H16 |
AB2C2D7E16 |
-78.03 |
3.89 |
-9.64 |
0.31 |
0 |
|
|
448752 |
135293305 |
1 |
O2F3N5H20C21 |
A2B3C5D20E21 |
-87.88 |
9.87 |
-8.54 |
-1.06 |
0 |
|
|
448753 |
135293312 |
1 |
OF4N5C19H19 |
AB4C5D19E19 |
-93.06 |
6.53 |
-8.23 |
-0.64 |
0 |
|
|
448754 |
135293336 |
1 |
OSF4N7H19C21 |
ABC4D7E19F21 |
-56.25 |
5.44 |
-8.4 |
-1.16 |
0 |
|
|
448755 |
135293379 |
1 |
N2O2F7H13C21 |
A2B2C7D13E21 |
-303.61 |
5.7 |
-9.71 |
-1.48 |
0 |
|
|
448756 |
135293380 |
1 |
O2N4F8H18C23 |
A2B4C8D18E23 |
-359.37 |
2.7 |
-9.5 |
-1.34 |
0 |
|
|
448757 |
135293381 |
1 |
O2N5F7C18H18 |
A2B5C7D18E18 |
-331.76 |
3.69 |
-8.73 |
-0.9 |
0 |
|
|
448758 |
135293382 |
1 |
O2N5F8H19C23 |
A2B5C8D19E23 |
-341.72 |
3.96 |
-8.92 |
-1.24 |
0 |