List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
320725 |
126663124 |
1 |
BrNO4C21H30 |
ABC4D21E30 |
-175.81 |
5.82 |
-8.76 |
-0.94 |
0 |
|
|
320726 |
126663125 |
1 |
BrNO3C15H18 |
ABC3D15E18 |
-114.39 |
4.41 |
-8.81 |
-1.02 |
0 |
|
|
320727 |
126663126 |
1 |
NC12H25 |
AB12C25 |
-41.74 |
2.32 |
-8.96 |
1.28 |
0 |
|
|
320728 |
126663127 |
1 |
O5H16C18 |
A5B16C18 |
-147.09 |
6.66 |
-8.72 |
-1.0 |
0 |
|
|
320729 |
126663128 |
2 |
N2H12C17 |
A2B12C17 |
181.39 |
3.09 |
-7.91 |
-1.08 |
0 |
|
|
320730 |
126663129 |
1 |
N6C21H22 |
A6B21C22 |
148.8 |
9.04 |
-8.05 |
-1.47 |
0 |
|
|
320731 |
126663130 |
1 |
N3C10H17 |
A3B10C17 |
25.47 |
1.36 |
-8.47 |
0.14 |
0 |
|
|
320732 |
126663131 |
1 |
O3N4C33H36 |
A3B4C33D36 |
-42.7 |
8.27 |
-8.71 |
-0.59 |
0 |
|
|
320733 |
126663132 |
1 |
NO3C20H41 |
AB3C20D41 |
-190.19 |
2.39 |
-9.21 |
1.69 |
0 |
|
|
320734 |
126663143 |
2 |
NOF3C13H15 |
ABC3D13E15 |
-352.65 |
6.78 |
-8.92 |
-1.18 |
0 |
|
|
320735 |
126663144 |
1 |
N2O5C20H22 |
A2B5C20D22 |
-99.84 |
5.63 |
-9.7 |
-0.54 |
0 |
|
|
320736 |
126663145 |
1 |
N3O3C25H31 |
A3B3C25D31 |
-83.72 |
3.18 |
-8.76 |
-0.72 |
0 |
|
|
320737 |
126663146 |
2 |
NC8H13 |
AB8C13 |
-2.39 |
1.83 |
-8.25 |
0.44 |
0 |
|
|
320738 |
126663147 |
1 |
N3O8H25C26 |
A3B8C25D26 |
-230.8 |
2.68 |
-8.24 |
-0.73 |
0 |
|
|
320739 |
126663149 |
1 |
N2O2C13H16 |
A2B2C13D16 |
-57.52 |
3.44 |
-9.03 |
-0.55 |
0 |
|
|
320740 |
126663151 |
1 |
F2O3N4C33H34 |
A2B3C4D33E34 |
-133.43 |
5.37 |
-8.81 |
-0.98 |
0 |
|
|
320741 |
126663152 |
1 |
F2N4O4C33H34 |
A2B4C4D33E34 |
-188.93 |
4.8 |
-8.84 |
-0.99 |
0 |
|
|
320742 |
126663153 |
1 |
N3O6C37H45 |
A3B6C37D45 |
-136.68 |
4.77 |
-8.86 |
-0.14 |
0 |
|
|
320743 |
126663157 |
1 |
OSN4C21H26 |
ABC4D21E26 |
18.08 |
4.31 |
-8.59 |
-0.38 |
0 |
|
|
320744 |
126663159 |
1 |
FNOC7H14 |
ABCD7E14 |
-93.06 |
3.22 |
-9.18 |
0.88 |
0 |
|
|
320745 |
126663160 |
1 |
O3N4C37H44 |
A3B4C37D44 |
-63.28 |
3.71 |
-8.64 |
-0.41 |
0 |
|
|
320746 |
126663162 |
1 |
SN4O4C22H26 |
AB4C4D22E26 |
-117.5 |
2.28 |
-8.52 |
-0.22 |
0 |
|
|
320747 |
126663163 |
1 |
N2S2C3H10 |
A2B2C3D10 |
6.16 |
2.73 |
-8.47 |
-0.52 |
0 |
|
|
320748 |
126663167 |
1 |
O2S2N3H27C34 |
A2B2C3D27E34 |
81.32 |
1.24 |
-8.48 |
-1.11 |
0 |
|
|
320749 |
126663170 |
1 |
NO11C28H55 |
AB11C28D55 |
-588.75 |
1.12 |
-9.91 |
0.2 |
0 |
|
|
320750 |
126663185 |
2 |
N3O4C20H34 |
A3B4C20D34 |
-391.16 |
6.2 |
-9.05 |
-0.01 |
0 |
|
|
320751 |
126663186 |
1 |
N7O15C61H105 |
A7B15C61D105 |
-773.7 |
4.84 |
-8.95 |
0.2 |
0 |
|
|
320752 |
126663187 |
1 |
N7O15C61H105 |
A7B15C61D105 |
-760.43 |
6.21 |
-8.82 |
-0.43 |
0 |
|
|
320753 |
126663190 |
1 |
NO2C15H19 |
AB2C15D19 |
-81.59 |
4.36 |
-9.42 |
-0.47 |
0 |
|
|
320754 |
126663204 |
1 |
N5O10C35H43 |
A5B10C35D43 |
-333.69 |
5.01 |
-8.95 |
-1.26 |
0 |
|
|
320755 |
126663206 |
1 |
N2O6C17H34 |
A2B6C17D34 |
-306.93 |
5.92 |
-9.52 |
0.66 |
0 |
|
|
320756 |
126663222 |
2 |
NO2F3C13H15 |
AB2C3D13E15 |
-368.11 |
5.09 |
-9.65 |
-1.19 |
0 |
|
|
320757 |
126663241 |
1 |
N15O15C64H89 |
A15B15C64D89 |
-521.75 |
9.83 |
-8.87 |
-0.62 |
0 |
|
|
320758 |
126663242 |
1 |
N4O4C37H46 |
A4B4C37D46 |
-106.86 |
2.57 |
-8.46 |
-0.29 |
0 |
|
|
320759 |
126663243 |
2 |
NOC8H12 |
ABC8D12 |
-85.79 |
5.28 |
-9.15 |
-0.57 |
0 |
|
|
320760 |
126663250 |
1 |
NO2P3C10H16 |
AB2C3D10E16 |
-79.04 |
2.5 |
-9.02 |
0.01 |
0 |
|
|
320761 |
126663251 |
1 |
N5O11C35H43 |
A5B11C35D43 |
-371.38 |
3.07 |
-8.94 |
-1.3 |
0 |
|
|
320762 |
126663257 |
1 |
ON2P3C11H21 |
AB2C3D11E21 |
-38.35 |
3.0 |
-8.39 |
0.88 |
0 |
|
|
320763 |
126663261 |
1 |
NF2H17C22 |
AB2C17D22 |
-13.16 |
1.41 |
-8.41 |
-0.52 |
0 |
|
|
320764 |
126663270 |
1 |
NO3C13H27 |
AB3C13D27 |
-180.81 |
5.12 |
-9.59 |
1.41 |
0 |
|
|
320765 |
126663286 |
1 |
SN4O11C32H56 |
AB4C11D32E56 |
-558.07 |
10.71 |
-9.28 |
-0.43 |
0 |
|
|
320766 |
126663300 |
2 |
NOC4H9 |
ABC4D9 |
-94.9 |
2.48 |
-8.9 |
0.68 |
0 |
|
|
320767 |
126663301 |
2 |
NC3H6 |
AB3C6 |
5.11 |
3.04 |
-9.0 |
0.97 |
0 |
|
|
320768 |
126663302 |
1 |
N2O4C25H28 |
A2B4C25D28 |
-123.38 |
7.6 |
-9.01 |
-1.18 |
0 |
|
|
320769 |
126663303 |
2 |
OF5H9C15 |
AB5C9D15 |
-474.82 |
2.4 |
-10.05 |
-1.22 |
0 |
|
|
320770 |
126663312 |
1 |
FIN4O11C30H40 |
ABC4D11E30F40 |
-456.22 |
0.84 |
-9.16 |
-1.4 |
0 |
|
|
320771 |
126663313 |
1 |
N4O7C43H54 |
A4B7C43D54 |
-148.44 |
2.4 |
-8.06 |
-0.31 |
0 |
|
|
320772 |
126663314 |
1 |
I2N3C19H25 |
A2B3C19D25 |
50.48 |
5.87 |
-8.75 |
-0.96 |
0 |
|
|
320773 |
126663315 |
1 |
BrNC14H16 |
ABC14D16 |
19.01 |
4.24 |
-8.8 |
-0.25 |
0 |
|
|
320774 |
126663316 |
1 |
NO5H23C25 |
AB5C23D25 |
-117.68 |
4.01 |
-8.15 |
-1.38 |
0 |