List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
397054 |
135029655 |
1 |
O3C17H22 |
A3B17C22 |
-131.0 |
1.67 |
-9.3 |
-0.64 |
0 |
|
|
397055 |
135029656 |
1 |
O3H20C25 |
A3B20C25 |
-6.41 |
1.61 |
-8.79 |
-0.87 |
0 |
|
|
397056 |
135029657 |
2 |
OC4H7 |
AB4C7 |
-100.16 |
1.83 |
-10.15 |
0.96 |
0 |
|
|
397057 |
135029658 |
1 |
NSiO3C23H33 |
ABC3D23E33 |
-126.48 |
1.79 |
-8.94 |
0.01 |
0 |
|
|
397058 |
135029659 |
1 |
NSSiO3C18H25 |
ABCD3E18F25 |
-93.0 |
2.18 |
-8.84 |
-0.39 |
0 |
|
|
397059 |
135029660 |
1 |
NSiO5C24H37 |
ABC5D24E37 |
-280.64 |
4.14 |
-9.61 |
-0.52 |
0 |
|
|
397060 |
135029662 |
1 |
SSiO4C24H42 |
ABC4D24E42 |
-240.15 |
5.27 |
-8.67 |
-0.63 |
0 |
|
|
397061 |
135029663 |
1 |
NSSiO3C21H37 |
ABCD3E21F37 |
-183.02 |
6.44 |
-8.72 |
-0.42 |
0 |
|
|
397062 |
135029664 |
1 |
SiO5C16H28 |
AB5C16D28 |
-264.48 |
1.1 |
-8.86 |
-0.29 |
0 |
|
|
397063 |
135029665 |
1 |
SiN2O5C16H28 |
AB2C5D16E28 |
-204.01 |
2.62 |
-8.97 |
-1.16 |
1 |
|
|
397064 |
135029666 |
1 |
SiN2O5C16H29 |
AB2C5D16E29 |
-207.04 |
8.17 |
0.0 |
0.0 |
0 |
|
|
397065 |
135029668 |
1 |
BrOSiH13C14 |
ABCD13E14 |
58.44 |
6.24 |
-9.7 |
-0.75 |
-1 |
|
|
397066 |
135029672 |
1 |
AuClSiN2O3C19H31 |
ABCD2E3F19G31 |
-120.42 |
7.99 |
0.0 |
0.0 |
0 |
|
|
397067 |
135029674 |
1 |
ON5C18H19 |
AB5C18D19 |
62.48 |
1.01 |
-8.3 |
-0.58 |
0 |
|
|
397068 |
135029675 |
1 |
ON2H30C32 |
AB2C30D32 |
57.96 |
3.3 |
-9.09 |
-0.51 |
0 |
|
|
397069 |
135029676 |
1 |
BrOSiC20H23 |
ABCD20E23 |
0.55 |
3.13 |
-8.9 |
-0.75 |
0 |
|
|
397070 |
135029677 |
1 |
N3O3C5H7 |
A3B3C5D7 |
-40.19 |
4.14 |
-10.36 |
-1.06 |
0 |
|
|
397071 |
135029681 |
1 |
O5C35H38 |
A5B35C38 |
-116.68 |
2.42 |
-9.27 |
0.12 |
0 |
|
|
397072 |
135029687 |
1 |
NSO3C20H21 |
ABC3D20E21 |
-37.73 |
3.83 |
-9.13 |
-0.69 |
0 |
|
|
397073 |
135029688 |
1 |
NO3C23H25 |
AB3C23D25 |
-58.43 |
1.07 |
-9.01 |
-0.73 |
0 |
|
|
397074 |
135029690 |
1 |
NO3C21H29 |
AB3C21D29 |
-105.62 |
4.22 |
-8.97 |
-0.48 |
0 |
|
|
397075 |
135029691 |
1 |
NO3C22H23 |
AB3C22D23 |
-41.02 |
3.35 |
-8.98 |
-0.54 |
0 |
|
|
397076 |
135029692 |
1 |
NO3C24H27 |
AB3C24D27 |
-51.71 |
3.64 |
-9.04 |
-0.48 |
0 |
|
|
397078 |
135029696 |
1 |
N2O4C15H16 |
A2B4C15D16 |
-123.0 |
5.75 |
-9.8 |
-1.3 |
0 |
|
|
397079 |
135029698 |
1 |
SO2N3H17C18 |
AB2C3D17E18 |
-6.87 |
1.85 |
-8.57 |
-0.5 |
0 |
|
|
397080 |
135029699 |
1 |
N2H16C17 |
A2B16C17 |
88.5 |
0.88 |
-8.81 |
0.05 |
0 |
|
|
397081 |
135029701 |
1 |
NSO3C12H19 |
ABC3D12E19 |
-124.71 |
6.97 |
-9.74 |
-0.18 |
0 |
|
|
397082 |
135029702 |
1 |
OC22H24 |
AB22C24 |
8.83 |
1.79 |
-8.54 |
-0.16 |
0 |
|
|
397083 |
135029703 |
1 |
PO4C19H23 |
AB4C19D23 |
-214.88 |
6.47 |
-8.91 |
-0.28 |
0 |
|
|
397084 |
135029704 |
1 |
ClOC13H15 |
ABC13D15 |
-42.09 |
2.43 |
-9.99 |
-0.51 |
0 |
|
|
397086 |
135029707 |
1 |
O3H18C19 |
A3B18C19 |
-69.93 |
1.77 |
-9.4 |
-0.68 |
0 |
|
|
397087 |
135029708 |
1 |
NOH11C15 |
ABC11D15 |
34.82 |
4.96 |
-9.08 |
-0.91 |
0 |
|
|
397088 |
135029709 |
1 |
BrNSH8C10 |
ABCD8E10 |
44.64 |
1.38 |
-8.84 |
-1.07 |
1 |
|
|
397089 |
135029710 |
1 |
NO2C14H16 |
AB2C14D16 |
-64.51 |
5.34 |
0.0 |
0.0 |
0 |
|
|
397090 |
135029713 |
1 |
N2O2H14C17 |
A2B2C14D17 |
-21.45 |
7.07 |
-8.41 |
-0.91 |
0 |
|
|
397091 |
135029714 |
1 |
N3O4H15C20 |
A3B4C15D20 |
-85.57 |
11.4 |
-8.56 |
-1.03 |
0 |
|
|
397092 |
135029715 |
1 |
O2N5C26H35 |
A2B5C26D35 |
-23.78 |
10.9 |
-8.7 |
-0.33 |
0 |
|
|
397093 |
135029716 |
1 |
O3N5C26H37 |
A3B5C26D37 |
-48.95 |
8.35 |
-9.55 |
-0.9 |
0 |
|
|
397094 |
135029718 |
1 |
NO2F6H15C22 |
AB2C6D15E22 |
-319.33 |
4.24 |
-10.02 |
-1.8 |
0 |
|
|
397095 |
135029723 |
1 |
NO2F6H19C24 |
AB2C6D19E24 |
-338.5 |
4.2 |
-9.68 |
-1.74 |
0 |
|
|
397096 |
135029724 |
1 |
NCl2O2F6H17C24 |
AB2C2D6E17F24 |
-358.32 |
6.07 |
-9.68 |
-1.9 |
0 |
|
|
397097 |
135029725 |
1 |
NO2F8H13C22 |
AB2C8D13E22 |
-413.37 |
4.94 |
-10.19 |
-1.83 |
0 |
|
|
397098 |
135029727 |
1 |
NO2F6H23C34 |
AB2C6D23E34 |
-273.63 |
4.79 |
-9.48 |
-1.8 |
0 |
|
|
397099 |
135029728 |
1 |
NO2F6C30H31 |
AB2C6D30E31 |
-368.46 |
5.81 |
-9.58 |
-1.67 |
0 |
|
|
397100 |
135029731 |
1 |
NF6O6H23C28 |
AB6C6D23E28 |
-502.19 |
3.33 |
-10.47 |
-2.07 |
0 |
|
|
397101 |
135029732 |
1 |
ON2H16C19 |
AB2C16D19 |
19.96 |
4.8 |
-8.58 |
-0.19 |
0 |
|
|
397102 |
135029733 |
1 |
NO3C19H19 |
AB3C19D19 |
-53.48 |
3.72 |
-8.29 |
-0.07 |
0 |
|
|
397103 |
135029737 |
1 |
NO3C11H19 |
AB3C11D19 |
-156.56 |
4.21 |
-9.73 |
0.6 |
1 |
|
|
397104 |
135029738 |
1 |
C20H21 |
A20B21 |
68.38 |
1.49 |
0.0 |
0.0 |
0 |
|
|
397105 |
135029741 |
1 |
ClN3C12H14 |
AB3C12D14 |
66.35 |
4.86 |
-9.71 |
-0.37 |
0 |
|
|
397106 |
135029742 |
1 |
NSBr2O5C20H23 |
ABC2D5E20F23 |
-129.41 |
3.01 |
-8.46 |
-0.52 |
0 |
|
|
397108 |
135029744 |
1 |
ClO2C18H19 |
AB2C18D19 |
-72.99 |
3.83 |
-9.27 |
-0.3 |
0 |
|
|
397109 |
135029746 |
1 |
O2F3H13C16 |
A2B3C13D16 |
-183.42 |
2.23 |
-9.29 |
-0.26 |
0 |
|
|
397110 |
135029748 |
1 |
ClOC20H25 |
ABC20D25 |
-41.18 |
2.88 |
-8.73 |
-0.2 |
0 |
|
|
397111 |
135029749 |
1 |
NOC22H25 |
ABC22D25 |
9.41 |
1.5 |
-9.22 |
0.05 |
0 |
|
|
397112 |
135029750 |
1 |
NO2C18H25 |
AB2C18D25 |
-57.3 |
1.61 |
-9.49 |
0.13 |
0 |
|
|
397113 |
135029751 |
1 |
NOSC19H23 |
ABCD19E23 |
-1.48 |
1.97 |
-9.02 |
-0.24 |
0 |
|
|
397114 |
135029752 |
1 |
NOSH13C20 |
ABCD13E20 |
64.51 |
2.68 |
-8.73 |
-0.99 |
0 |
|
|
397115 |
135029753 |
1 |
NO5H21C27 |
AB5C21D27 |
-117.38 |
1.53 |
-9.01 |
-1.4 |
0 |
|
|
397116 |
135029754 |
1 |
ClO4C31H45 |
AB4C31D45 |
-179.92 |
6.4 |
-9.22 |
-0.4 |
0 |
|
|
397117 |
135029755 |
1 |
N3O3H15C16 |
A3B3C15D16 |
-23.52 |
3.52 |
-8.99 |
-1.18 |
0 |
|
|
397118 |
135029756 |
1 |
O2N3C17H17 |
A2B3C17D17 |
-6.2 |
5.83 |
-9.13 |
-1.12 |
0 |
|
|
397119 |
135029757 |
1 |
N2O3H18C19 |
A2B3C18D19 |
-38.66 |
4.06 |
-8.74 |
-0.92 |
1 |
|
|
397120 |
135029758 |
1 |
N3C19H20 |
A3B19C20 |
115.39 |
3.2 |
0.0 |
0.0 |
1 |
|
|
397121 |
135029759 |
1 |
N3C19H20 |
A3B19C20 |
127.73 |
2.73 |
0.0 |
0.0 |
0 |
|
|
397122 |
135029760 |
1 |
ON3C19H21 |
AB3C19D21 |
57.3 |
4.13 |
-8.72 |
-0.4 |
0 |
|
|
397123 |
135029761 |
2 |
N2O2C11H13 |
A2B2C11D13 |
-99.77 |
3.53 |
-8.76 |
-0.68 |
0 |
|
|
397124 |
135029762 |
1 |
ON2C12H16 |
AB2C12D16 |
-13.74 |
3.74 |
-8.79 |
-0.04 |
0 |
|
|
397125 |
135029763 |
1 |
NOSH15C18 |
ABCD15E18 |
72.78 |
4.85 |
-9.09 |
-0.93 |
0 |
|
|
397126 |
135029764 |
1 |
SN2O3C21H22 |
AB2C3D21E22 |
-64.0 |
6.45 |
-9.23 |
-0.52 |
0 |
|
|
397127 |
135029765 |
1 |
SN2O3C21H22 |
AB2C3D21E22 |
-44.07 |
7.94 |
-9.29 |
-0.84 |
0 |
|
|
397128 |
135029766 |
1 |
SN2O7C26H34 |
AB2C7D26E34 |
-299.65 |
8.31 |
-9.22 |
-0.41 |
0 |
|
|
397130 |
135029769 |
1 |
ISN3O7C29H34 |
ABC3D7E29F34 |
-152.22 |
6.25 |
-9.0 |
-1.83 |
0 |
|
|
397131 |
135029770 |
1 |
ISN3O5C24H24 |
ABC3D5E24F24 |
-32.09 |
5.49 |
-9.53 |
-1.92 |
0 |
|
|
397132 |
135029772 |
1 |
N3O3H23C25 |
A3B3C23D25 |
49.81 |
11.6 |
-8.44 |
-1.25 |
0 |