List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
220592 |
85197922 |
1 |
NO3C21H21 |
AB3C21D21 |
-64.73 |
5.64 |
-9.21 |
-1.18 |
0 |
|
|
220593 |
85197923 |
1 |
O2N3C20H21 |
A2B3C20D21 |
-31.81 |
2.89 |
-8.78 |
-0.26 |
0 |
|
|
220594 |
85197926 |
1 |
SiN3O3C16H25 |
AB3C3D16E25 |
-32.12 |
7.57 |
-8.72 |
-0.91 |
0 |
|
|
220595 |
85197927 |
1 |
NO3C20H33 |
AB3C20D33 |
-194.37 |
4.84 |
-9.73 |
1.33 |
0 |
|
|
220596 |
85197929 |
1 |
N3C22H29 |
A3B22C29 |
46.01 |
1.67 |
-8.73 |
0.15 |
0 |
|
|
220597 |
85197930 |
1 |
NO2S4C12H17 |
AB2C4D12E17 |
-23.79 |
6.99 |
-8.64 |
-0.28 |
0 |
|
|
220598 |
85197931 |
1 |
NSiO2C19H33 |
ABC2D19E33 |
-113.22 |
2.89 |
-8.85 |
-0.1 |
0 |
|
|
220599 |
85197932 |
1 |
ClFOSN3C15H17 |
ABCDE3F15G17 |
-70.28 |
8.24 |
-8.94 |
-0.72 |
0 |
|
|
220601 |
85197936 |
1 |
O9C14H24 |
A9B14C24 |
-391.45 |
4.86 |
-10.38 |
0.01 |
0 |
|
|
220602 |
85197937 |
1 |
O5H16C20 |
A5B16C20 |
-122.77 |
6.48 |
-9.17 |
-0.86 |
1 |
|
|
220603 |
85197938 |
1 |
SO2N4H11C17 |
AB2C4D11E17 |
92.3 |
2.69 |
0.0 |
0.0 |
0 |
|
|
220604 |
85197939 |
1 |
N2O5C17H24 |
A2B5C17D24 |
-170.68 |
5.11 |
-9.44 |
-0.24 |
0 |
|
|
220605 |
85197940 |
1 |
N2O5C17H24 |
A2B5C17D24 |
-206.54 |
6.73 |
-9.11 |
0.03 |
0 |
|
|
220606 |
85197950 |
4 |
OC5H8 |
AB5C8 |
-202.26 |
2.28 |
-8.82 |
0.5 |
0 |
|
|
220608 |
85197959 |
1 |
ClO3N4C15H17 |
AB3C4D15E17 |
-60.55 |
6.18 |
-9.54 |
-1.56 |
0 |
|
|
220609 |
85197960 |
1 |
ClON4H11C18 |
ABC4D11E18 |
122.99 |
1.2 |
-9.76 |
-2.71 |
0 |
|
|
220610 |
85197978 |
1 |
O3N4C18H18 |
A3B4C18D18 |
-43.09 |
4.01 |
-8.55 |
-0.69 |
0 |
|
|
220612 |
85198008 |
1 |
SN3O4C15H21 |
AB3C4D15E21 |
-163.08 |
5.76 |
-8.7 |
-0.47 |
0 |
|
|
220613 |
85198010 |
1 |
NO3C21H25 |
AB3C21D25 |
-73.94 |
4.49 |
-8.93 |
0.0 |
0 |
|
|
220614 |
85198027 |
1 |
O7C17H24 |
A7B17C24 |
-308.0 |
3.07 |
-10.53 |
-0.15 |
0 |
|
|
220615 |
85198037 |
1 |
N2O5C17H28 |
A2B5C17D28 |
-270.37 |
6.29 |
-9.68 |
0.19 |
0 |
|
|
220616 |
85198054 |
1 |
N3O4C18H19 |
A3B4C18D19 |
-134.83 |
11.89 |
-8.98 |
-1.32 |
0 |
|
|
220618 |
85198058 |
1 |
NO6C17H27 |
AB6C17D27 |
-256.45 |
3.8 |
-9.05 |
0.43 |
2 |
|
|
220619 |
85198063 |
1 |
O2N5C18H23 |
A2B5C18D23 |
46.68 |
8.95 |
-8.08 |
-1.44 |
0 |
|
|
220620 |
85198068 |
1 |
NO5C18H31 |
AB5C18D31 |
-254.6 |
6.02 |
-9.72 |
0.5 |
0 |
|
|
220621 |
85198070 |
1 |
NOH23C24 |
ABC23D24 |
8.75 |
1.3 |
-8.68 |
-0.34 |
0 |
|
|
220622 |
85198072 |
1 |
NSO2C20H23 |
ABC2D20E23 |
-28.63 |
2.49 |
-8.54 |
-0.99 |
0 |
|
|
220623 |
85198077 |
1 |
BrNO4C14H16 |
ABC4D14E16 |
-148.93 |
4.25 |
-8.92 |
-0.57 |
0 |
|
|
220624 |
85198080 |
1 |
O11C12H22 |
A11B12C22 |
-483.65 |
3.48 |
-10.4 |
-0.63 |
0 |
|
|
220625 |
85198084 |
1 |
O6H18C19 |
A6B18C19 |
-223.56 |
3.11 |
-9.75 |
-2.03 |
0 |
|
|
220626 |
85198086 |
2 |
O2H7C11 |
A2B7C11 |
-44.73 |
5.94 |
-8.85 |
-1.88 |
1 |
|
|
220627 |
85198089 |
1 |
N4O4C17H19 |
A4B4C17D19 |
-90.89 |
2.81 |
0.0 |
0.0 |
0 |
|
|
220628 |
85198094 |
1 |
SO6C16H22 |
AB6C16D22 |
-241.4 |
6.42 |
-10.14 |
-0.73 |
0 |
|
|
220629 |
85198095 |
1 |
SO4H18C19 |
AB4C18D19 |
-89.23 |
5.94 |
-9.11 |
-0.33 |
0 |
|
|
220630 |
85198105 |
2 |
SO2C8H11 |
AB2C8D11 |
-165.09 |
7.52 |
-9.64 |
-0.41 |
0 |
|
|
220631 |
85198108 |
1 |
SiO4C18H34 |
AB4C18D34 |
-239.49 |
1.14 |
-9.03 |
0.85 |
0 |
|
|
220632 |
85198109 |
2 |
OSC9H15 |
ABC9D15 |
-105.35 |
4.1 |
-8.72 |
-0.15 |
0 |
|
|
220633 |
85198110 |
2 |
OSiC9H19 |
ABC9D19 |
-187.74 |
2.84 |
-8.62 |
1.15 |
0 |
|
|
220634 |
85198113 |
1 |
OCl2N2H12C18 |
AB2C2D12E18 |
51.11 |
4.07 |
-9.52 |
-1.38 |
0 |
|
|
220635 |
85198116 |
1 |
NO6H17C18 |
AB6C17D18 |
-200.76 |
8.68 |
-9.74 |
-1.61 |
0 |
|
|
220636 |
85198117 |
1 |
NO6H17C18 |
AB6C17D18 |
-207.67 |
4.74 |
-9.14 |
-0.83 |
0 |
|
|
220637 |
85198118 |
1 |
NF3O3C17H20 |
AB3C3D17E20 |
-254.32 |
4.23 |
-9.62 |
-0.11 |
0 |
|
|
220639 |
85198121 |
1 |
NO5C19H21 |
AB5C19D21 |
-168.12 |
3.51 |
-9.18 |
-0.2 |
0 |
|
|
220640 |
85198124 |
1 |
NSO4H17C18 |
ABC4D17E18 |
-113.73 |
5.94 |
-8.75 |
-1.12 |
0 |
|
|
220641 |
85198125 |
1 |
NO6C17H29 |
AB6C17D29 |
-311.76 |
4.55 |
-9.86 |
-0.03 |
0 |
|
|
220642 |
85198130 |
1 |
NO3C21H29 |
AB3C21D29 |
-93.69 |
3.16 |
-9.3 |
0.31 |
0 |
|
|
220643 |
85200862 |
1 |
N3O6H25C26 |
A3B6C25D26 |
-195.32 |
2.84 |
-9.25 |
-0.99 |
0 |
|
|
220644 |
85200866 |
1 |
SN5O6C21H25 |
AB5C6D21E25 |
-128.49 |
7.31 |
-9.33 |
-1.86 |
0 |
|
|
220645 |
85200868 |
1 |
N3O5C27H29 |
A3B5C27D29 |
-68.82 |
3.86 |
-9.52 |
-0.06 |
0 |
|
|
220647 |
85201027 |
1 |
O8C27H34 |
A8B27C34 |
-295.39 |
3.24 |
-9.34 |
0.18 |
0 |
|
|
220648 |
85201028 |
1 |
N2O7C26H34 |
A2B7C26D34 |
-279.18 |
1.01 |
-8.71 |
-0.02 |
0 |
|
|
220649 |
85201029 |
1 |
N2O5C29H30 |
A2B5C29D30 |
-160.24 |
3.9 |
-8.81 |
-0.36 |
0 |
|
|
220650 |
85201030 |
1 |
O6C29H42 |
A6B29C42 |
-269.86 |
5.11 |
-9.6 |
-0.23 |
0 |
|
|
220651 |
85201031 |
1 |
O5N6C23H46 |
A5B6C23D46 |
-208.36 |
2.7 |
-9.98 |
-1.04 |
0 |
|
|
220652 |
85201033 |
1 |
O4C31H50 |
A4B31C50 |
-249.47 |
2.79 |
-9.53 |
0.76 |
0 |
|
|
220654 |
85201035 |
1 |
O3C32H54 |
A3B32C54 |
-193.66 |
4.1 |
-9.78 |
1.88 |
0 |
|
|
220655 |
85201039 |
1 |
ClN4O7C21H31 |
AB4C7D21E31 |
-315.96 |
6.5 |
-9.13 |
-0.92 |
0 |
|
|
220656 |
85201043 |
1 |
N3O6H25C27 |
A3B6C25D27 |
-91.98 |
4.81 |
-8.92 |
-0.7 |
0 |
|
|
220657 |
85201044 |
1 |
N5O5H25C26 |
A5B5C25D26 |
50.36 |
11.97 |
-9.22 |
-2.14 |
0 |
|
|
220658 |
85201045 |
1 |
NF3O4C27H28 |
AB3C4D27E28 |
-266.88 |
2.54 |
-9.24 |
-1.3 |
0 |
|
|
220659 |
85201708 |
1 |
SF3N6O8C18H23 |
AB3C6D8E18F23 |
-459.83 |
7.15 |
-9.45 |
-1.58 |
0 |
|
|
220660 |
85201710 |
1 |
BrO2S3N5C20H22 |
AB2C3D5E20F22 |
30.88 |
6.13 |
-8.72 |
-0.76 |
0 |
|
|
220661 |
85201711 |
1 |
N6O8C25H28 |
A6B8C25D28 |
-230.11 |
4.13 |
-9.55 |
-1.52 |
0 |
|
|
220662 |
85201798 |
1 |
ISN2O4C23H25 |
ABC2D4E23F25 |
-105.88 |
6.47 |
-9.31 |
-1.92 |
0 |
|
|
220663 |
85201799 |
1 |
ISiN2O6C20H33 |
ABC2D6E20F33 |
-315.95 |
3.24 |
-8.79 |
-1.41 |
0 |
|
|
220664 |
85201800 |
1 |
PN2O7C29H33 |
AB2C7D29E33 |
-292.39 |
7.22 |
-9.46 |
-0.45 |
0 |
|
|
220665 |
85201802 |
1 |
O7H30C34 |
A7B30C34 |
-157.36 |
4.51 |
-9.34 |
-1.01 |
0 |
|
|
220666 |
85201803 |
1 |
O7C33H42 |
A7B33C42 |
-306.28 |
3.9 |
-9.93 |
-0.82 |
0 |
|
|
220667 |
85201804 |
1 |
N4O5C31H42 |
A4B5C31D42 |
-188.19 |
7.19 |
-8.52 |
-1.12 |
1 |
|
|
220668 |
85201813 |
1 |
FS3O5N7H19C20 |
AB3C5D7E19F20 |
-62.27 |
1.75 |
0.0 |
0.0 |
0 |
|
|
220669 |
85201814 |
1 |
SSiN5O5C26H29 |
ABC5D5E26F29 |
-139.38 |
3.35 |
-9.0 |
-0.74 |
0 |
|
|
220670 |
85201815 |
1 |
SiN3O6C29H39 |
AB3C6D29E39 |
-287.51 |
4.35 |
-9.16 |
-0.12 |
0 |
|
|
220671 |
85202056 |
1 |
N3F6O8C22H27 |
A3B6C8D22E27 |
-673.29 |
3.75 |
-9.83 |
-0.45 |
0 |
|
|
220672 |
85202062 |
1 |
O13C28H32 |
A13B28C32 |
-497.27 |
7.56 |
-9.09 |
-1.22 |
0 |
|
|
220673 |
85202065 |
1 |
SiO6C34H44 |
AB6C34D44 |
-236.31 |
3.09 |
-8.09 |
-0.34 |
0 |