List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
263800 |
103399392 |
2 |
N2C6H11 |
A2B6C11 |
36.46 |
3.81 |
-9.13 |
0.44 |
0 |
|
|
263801 |
103399575 |
3 |
NOC5H7 |
ABC5D7 |
-47.63 |
1.39 |
-8.88 |
-0.71 |
0 |
|
|
263802 |
103399579 |
3 |
NOC5H7 |
ABC5D7 |
-53.38 |
2.21 |
-8.95 |
-0.73 |
0 |
|
|
263803 |
103399632 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-33.94 |
3.9 |
-8.65 |
0.1 |
0 |
|
|
263804 |
103399705 |
1 |
O2N3C16H19 |
A2B3C16D19 |
3.69 |
1.91 |
-8.69 |
-0.93 |
0 |
|
|
263805 |
103399782 |
1 |
N2O4C15H20 |
A2B4C15D20 |
-99.92 |
2.26 |
-8.84 |
-0.66 |
0 |
|
|
263806 |
103399953 |
1 |
NSCl2O3H9C13 |
ABC2D3E9F13 |
-95.03 |
8.35 |
-9.49 |
-1.5 |
0 |
|
|
263807 |
103399963 |
1 |
ClNSO3H12C15 |
ABCD3E12F15 |
-85.55 |
8.68 |
-9.17 |
-1.22 |
0 |
|
|
263808 |
103400058 |
1 |
NSO2C15H19 |
ABC2D15E19 |
-45.93 |
1.03 |
-8.87 |
-0.85 |
0 |
|
|
263809 |
103400100 |
1 |
ClNSO3C11H12 |
ABCD3E11F12 |
-119.86 |
7.91 |
-9.4 |
-1.17 |
0 |
|
|
263810 |
103400157 |
1 |
ClSN2O3H9C12 |
ABC2D3E9F12 |
-68.47 |
5.34 |
-9.42 |
-1.32 |
0 |
|
|
263811 |
103400197 |
1 |
O2N4C15H20 |
A2B4C15D20 |
-18.11 |
0.85 |
-8.65 |
-0.09 |
0 |
|
|
263812 |
103400420 |
1 |
ClSO2H11C14 |
ABC2D11E14 |
-33.47 |
4.31 |
-9.16 |
-1.23 |
0 |
|
|
263813 |
103400578 |
1 |
ClNSO2C14H16 |
ABCD2E14F16 |
-38.63 |
1.61 |
-8.37 |
-0.34 |
0 |
|
|
263814 |
103400617 |
1 |
ClOSN2C15H15 |
ABCD2E15F15 |
-6.96 |
2.12 |
-8.76 |
-0.49 |
0 |
|
|
263815 |
103400625 |
1 |
ClSN3H14C15 |
ABC3D14E15 |
83.69 |
2.88 |
-8.93 |
-0.59 |
0 |
|
|
263816 |
103400688 |
1 |
NO5C14H21 |
AB5C14D21 |
-183.15 |
2.27 |
-10.0 |
-0.9 |
0 |
|
|
263817 |
103400691 |
1 |
BrO5C14H19 |
AB5C14D19 |
-186.25 |
5.51 |
-10.0 |
-1.07 |
0 |
|
|
263818 |
103400772 |
1 |
NOSCl2C15H17 |
ABCD2E15F17 |
-18.55 |
3.3 |
-8.72 |
-0.35 |
0 |
|
|
263819 |
103400790 |
1 |
ClNSBr2C14H14 |
ABCD2E14F14 |
35.53 |
1.47 |
-8.92 |
-0.58 |
0 |
|
|
263820 |
103400853 |
1 |
NF3O3C14H20 |
AB3C3D14E20 |
-266.8 |
2.62 |
-9.18 |
-0.58 |
0 |
|
|
263821 |
103400859 |
1 |
ClNOSC17H20 |
ABCDE17F20 |
-17.14 |
1.63 |
-8.47 |
-0.3 |
0 |
|
|
263822 |
103400978 |
1 |
N3O4C12H17 |
A3B4C12D17 |
-47.5 |
4.75 |
-8.33 |
-1.19 |
0 |
|
|
263823 |
103400982 |
1 |
NOSCl2C14H15 |
ABCD2E14F15 |
-15.91 |
1.7 |
-8.87 |
-0.39 |
0 |
|
|
263824 |
103400984 |
1 |
NOSCl2C15H17 |
ABCD2E15F17 |
-19.66 |
0.81 |
-8.79 |
-0.3 |
0 |
|
|
263825 |
103400985 |
1 |
N3O3C12H17 |
A3B3C12D17 |
-64.24 |
5.08 |
-8.82 |
-1.03 |
0 |
|
|
263826 |
103401008 |
1 |
NO4C13H21 |
AB4C13D21 |
-146.3 |
2.38 |
-8.34 |
0.23 |
0 |
|
|
263827 |
103401009 |
1 |
BrClNOSC13H13 |
ABCDEF13G13 |
-2.1 |
3.22 |
-8.86 |
-0.35 |
0 |
|
|
263828 |
103401011 |
1 |
N2O4C15H24 |
A2B4C15D24 |
-121.04 |
2.37 |
-8.3 |
0.11 |
0 |
|
|
263829 |
103401015 |
1 |
SN2O3C14H20 |
AB2C3D14E20 |
-88.78 |
1.1 |
-8.45 |
-0.5 |
0 |
|
|
263830 |
103401016 |
1 |
ClNOSF2H12C13 |
ABCDE2F12G13 |
-100.63 |
4.09 |
-8.86 |
-0.44 |
0 |
|
|
263831 |
103401031 |
1 |
BrClNS2C11H11 |
ABCD2E11F11 |
48.26 |
3.12 |
-9.09 |
-0.59 |
0 |
|
|
263832 |
103401077 |
1 |
SN2O5C11H18 |
AB2C5D11E18 |
-176.82 |
4.79 |
-9.98 |
-0.74 |
0 |
|
|
263833 |
103401109 |
1 |
ClNOSC17H22 |
ABCDE17F22 |
-29.26 |
2.52 |
-8.53 |
-0.11 |
0 |
|
|
263834 |
103401118 |
1 |
BrClOSN3H13C14 |
ABCDE3F13G14 |
2.28 |
4.13 |
-8.88 |
-0.57 |
0 |
|
|
263835 |
103401138 |
1 |
BrNO3C14H22 |
ABC3D14E22 |
-107.28 |
2.95 |
-9.4 |
-0.28 |
0 |
|
|
263836 |
103401140 |
1 |
N2O4C15H24 |
A2B4C15D24 |
-161.35 |
2.66 |
-8.45 |
0.11 |
0 |
|
|
263837 |
103401161 |
1 |
BrNO3C15H24 |
ABC3D15E24 |
-114.21 |
3.42 |
-9.25 |
-0.22 |
0 |
|
|
263838 |
103401162 |
1 |
BrClNSF2H11C13 |
ABCDE2F11G13 |
-54.01 |
3.74 |
-9.16 |
-0.71 |
0 |
|
|
263839 |
103401163 |
1 |
NSO3C14H25 |
ABC3D14E25 |
-117.3 |
1.5 |
-8.89 |
-0.12 |
0 |
|
|
263840 |
103401176 |
1 |
FNO3C13H20 |
ABC3D13E20 |
-158.14 |
1.6 |
-8.59 |
0.23 |
0 |
|
|
263841 |
103401177 |
2 |
NO2C7H10 |
AB2C7D10 |
-113.11 |
2.42 |
-8.52 |
-0.56 |
0 |
|
|
263842 |
103401187 |
1 |
NO5C15H25 |
AB5C15D25 |
-198.32 |
2.23 |
-8.45 |
0.46 |
0 |
|
|
263843 |
103401189 |
1 |
NO5C15H25 |
AB5C15D25 |
-194.62 |
4.54 |
-8.1 |
0.47 |
0 |
|
|
263844 |
103401190 |
1 |
ClNSC18H18 |
ABCD18E18 |
44.68 |
0.99 |
-8.59 |
-0.37 |
0 |
|
|
263845 |
103401195 |
1 |
BrClNS2C13H15 |
ABCD2E13F15 |
17.8 |
2.36 |
-8.3 |
-0.47 |
0 |
|
|
263846 |
103401238 |
1 |
ClFNSC13H13 |
ABCDE13F13 |
-20.97 |
3.27 |
-9.14 |
-0.61 |
0 |
|
|
263847 |
103401273 |
1 |
N2O3C14H24 |
A2B3C14D24 |
-106.53 |
1.65 |
-9.21 |
-0.18 |
0 |
|
|
263848 |
103401327 |
1 |
N3O3C14H27 |
A3B3C14D27 |
-102.51 |
1.85 |
-9.01 |
0.73 |
0 |
|
|
263849 |
103401373 |
1 |
ClOSN3C15H16 |
ABCD3E15F16 |
-8.43 |
2.96 |
-8.79 |
-0.52 |
0 |