List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
146065 |
53629712 |
1 |
NO2C5H10 |
AB2C5D10 |
-72.52 |
5.45 |
0.0 |
0.0 |
0 |
|
|
146066 |
53629713 |
1 |
BrOC3H4 |
ABC3D4 |
16.16 |
2.23 |
0.0 |
0.0 |
0 |
|
|
146067 |
53630004 |
1 |
O3N6H18C20 |
A3B6C18D20 |
5.65 |
6.4 |
-8.1 |
-1.17 |
1 |
|
|
146068 |
53630671 |
1 |
OC5H9 |
AB5C9 |
0.99 |
1.41 |
0.0 |
0.0 |
0 |
|
|
146069 |
53630728 |
1 |
ON2C8H12 |
AB2C8D12 |
-23.01 |
2.29 |
-8.3 |
0.52 |
0 |
|
|
146070 |
53630954 |
1 |
Cl2O3N6C24H24 |
A2B3C6D24E24 |
14.37 |
4.45 |
-8.98 |
-1.28 |
0 |
|
|
146071 |
53630955 |
1 |
Cl2O3N6H22C23 |
A2B3C6D22E23 |
18.26 |
7.79 |
-8.67 |
-1.2 |
0 |
|
|
146072 |
53630956 |
1 |
Cl2O3N7C24H25 |
A2B3C7D24E25 |
33.34 |
1.11 |
-8.82 |
-1.37 |
0 |
|
|
146073 |
53630957 |
1 |
ON4C7H14 |
AB4C7D14 |
32.67 |
3.6 |
-7.35 |
0.54 |
0 |
|
|
146074 |
53631293 |
1 |
N2F3C9H17 |
A2B3C9D17 |
-170.53 |
4.26 |
-8.9 |
1.03 |
0 |
|
|
146075 |
53631472 |
4 |
NOC3H4 |
ABC3D4 |
-154.13 |
6.85 |
-10.03 |
-0.86 |
0 |
|
|
146076 |
53631757 |
2 |
N2C4H5 |
A2B4C5 |
74.19 |
5.74 |
-8.77 |
0.11 |
0 |
|
|
146077 |
53632542 |
1 |
NO8C50H69 |
AB8C50D69 |
-372.89 |
1.89 |
-8.88 |
-0.43 |
0 |
|
|
146078 |
53632651 |
1 |
O3C13H20 |
A3B13C20 |
-130.48 |
3.52 |
-10.03 |
0.6 |
0 |
|
|
146079 |
53632652 |
1 |
NSO3C29H31 |
ABC3D29E31 |
-50.94 |
4.14 |
-9.01 |
-0.43 |
5 |
|
|
146080 |
53632973 |
1 |
O6N11C67H88 |
A6B11C67D88 |
45.13 |
7.53 |
0.0 |
0.0 |
0 |
|
|
146081 |
53633113 |
4 |
OH8C10 |
AB8C10 |
1.49 |
3.21 |
-8.9 |
-0.75 |
0 |
|
|
146082 |
53633467 |
1 |
N2O3C27H34 |
A2B3C27D34 |
-91.48 |
5.9 |
-8.77 |
0.38 |
0 |
|
|
146083 |
53633634 |
1 |
PN6O17C110H171 |
AB6C17D110E171 |
-622.75 |
4.1 |
-8.72 |
-0.87 |
0 |
|
|
146084 |
53633635 |
1 |
N3O3C23H29 |
A3B3C23D29 |
16.95 |
3.86 |
-8.98 |
-0.83 |
0 |
|
|
146085 |
53633656 |
1 |
NOH13C14 |
ABC13D14 |
12.96 |
5.18 |
-9.37 |
-0.97 |
0 |
|
|
146086 |
53633708 |
2 |
OC7H10 |
AB7C10 |
-64.96 |
2.25 |
-9.64 |
0.78 |
0 |
|
|
146087 |
53633709 |
1 |
O4C17H24 |
A4B17C24 |
-159.88 |
6.06 |
-9.43 |
-0.16 |
0 |
|
|
146088 |
53633710 |
2 |
NOSC2H3 |
ABCD2E3 |
-25.58 |
4.32 |
-9.17 |
-0.73 |
1 |
|
|
146089 |
53633711 |
1 |
NPO5C16H27 |
ABC5D16E27 |
-215.11 |
10.28 |
0.0 |
0.0 |
0 |
|
|
146090 |
53634185 |
2 |
NO3C12H20 |
AB3C12D20 |
-320.57 |
4.56 |
-9.36 |
0.02 |
0 |
|
|
146091 |
53634283 |
1 |
ClNO4H14C15 |
ABC4D14E15 |
-107.5 |
1.98 |
-8.69 |
-1.06 |
0 |
|
|
146092 |
53634356 |
1 |
ClNO2S2H8C11 |
ABC2D2E8F11 |
23.52 |
4.58 |
-9.14 |
-1.31 |
0 |
|
|
146093 |
53634914 |
1 |
OF3C25H43 |
AB3C25D43 |
-278.56 |
3.41 |
-9.84 |
1.01 |
0 |
|
|
146094 |
53634915 |
1 |
OS2N6C17H30 |
AB2C6D17E30 |
-20.31 |
4.68 |
-8.68 |
-0.74 |
0 |
|
|
146095 |
53635062 |
1 |
SN2Cl3O6H17C18 |
AB2C3D6E17F18 |
-189.58 |
4.21 |
-8.86 |
-0.6 |
0 |
|
|
146096 |
53635078 |
1 |
SN2O4F6C13H14 |
AB2C4D6E13F14 |
-471.85 |
4.27 |
-9.82 |
-0.77 |
0 |
|
|
146097 |
53635128 |
1 |
NO4C18H21 |
AB4C18D21 |
-117.69 |
5.08 |
-8.44 |
-0.32 |
0 |
|
|
146098 |
53635129 |
1 |
NO2H15C18 |
AB2C15D18 |
12.17 |
4.15 |
-8.44 |
-1.12 |
0 |
|
|
146099 |
53635306 |
1 |
P2C3H8O9 |
A2B3C8D9 |
-529.51 |
4.52 |
-11.6 |
-0.79 |
0 |
|
|
146100 |
53635497 |
1 |
ON4H18C25 |
AB4C18D25 |
138.07 |
7.11 |
-9.72 |
-0.75 |
0 |
|
|
146101 |
53635498 |
1 |
OC9H18 |
AB9C18 |
-68.38 |
2.06 |
-9.58 |
1.36 |
0 |
|
|
146102 |
53635547 |
1 |
N3O3C31H47 |
A3B3C31D47 |
-150.03 |
2.83 |
-8.28 |
0.19 |
0 |
|
|
146103 |
53635570 |
1 |
SN2O2F6H18C24 |
AB2C2D6E18F24 |
-257.29 |
7.76 |
-9.52 |
-0.93 |
0 |
|
|
146104 |
53635666 |
1 |
NO3C8H13 |
AB3C8D13 |
-133.48 |
3.1 |
-11.03 |
0.34 |
0 |
|
|
146105 |
53635974 |
1 |
SiN4O5C35H42 |
AB4C5D35E42 |
-150.58 |
7.79 |
-9.12 |
-0.34 |
0 |
|
|
146106 |
53636118 |
1 |
NO4C16H23 |
AB4C16D23 |
-181.05 |
2.89 |
-8.86 |
0.13 |
0 |
|
|
146107 |
53636477 |
1 |
ClSO2N5C18H20 |
ABC2D5E18F20 |
0.63 |
4.98 |
-8.22 |
-1.63 |
0 |
|
|
146108 |
53636739 |
1 |
SO4N5H25C26 |
AB4C5D25E26 |
-6.79 |
11.69 |
-8.6 |
-1.44 |
0 |
|
|
146109 |
53637177 |
1 |
ClNO3C15H18 |
ABC3D15E18 |
-92.31 |
4.0 |
-8.06 |
-0.1 |
0 |
|
|
146110 |
53637178 |
1 |
N4O5C16H18 |
A4B5C16D18 |
-53.89 |
5.45 |
-10.47 |
-1.58 |
0 |
|
|
146111 |
53637791 |
2 |
OF2H6C7 |
AB2C6D7 |
-220.36 |
1.24 |
-9.15 |
-1.12 |
0 |
|
|
146112 |
53637955 |
1 |
SN3O3C6H7 |
AB3C3D6E7 |
-30.55 |
2.56 |
-9.94 |
-1.56 |
0 |
|
|
146113 |
53637986 |
1 |
O9C14H22 |
A9B14C22 |
-347.66 |
5.16 |
-10.45 |
-0.95 |
1 |
|
|
146114 |
53637987 |
1 |
N3O5C18H24 |
A3B5C18D24 |
-155.24 |
8.16 |
0.0 |
0.0 |
0 |