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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
265825 |
103550239 |
1 |
NO5C15H17 |
AB5C15D17 |
-208.35 |
3.06 |
-9.45 |
-0.72 |
0 |
|
|
265826 |
103550294 |
1 |
NSO3C15H19 |
ABC3D15E19 |
-117.48 |
4.95 |
-9.12 |
-0.18 |
0 |
|
|
265827 |
103550893 |
1 |
BrN2O3C13H15 |
AB2C3D13E15 |
-110.85 |
2.94 |
-9.31 |
-0.6 |
0 |
|
|
265828 |
103550927 |
1 |
NO4C10H15 |
AB4C10D15 |
-171.72 |
7.11 |
-10.34 |
0.06 |
0 |
|
|
265829 |
103550944 |
1 |
NO4C12H21 |
AB4C12D21 |
-211.36 |
6.04 |
-10.12 |
0.53 |
0 |
|
|
265830 |
103551047 |
1 |
FN2O5C13H13 |
AB2C5D13E13 |
-174.38 |
14.03 |
-9.73 |
-1.24 |
0 |
|
|
265831 |
103551068 |
1 |
NO4C12H19 |
AB4C12D19 |
-197.8 |
4.08 |
-9.78 |
0.48 |
0 |
|
|
265832 |
103551101 |
1 |
NO4C12H19 |
AB4C12D19 |
-164.64 |
4.1 |
-9.62 |
0.23 |
0 |
|
|
265833 |
103551193 |
1 |
NO3C11H17 |
AB3C11D17 |
-135.35 |
4.26 |
-10.15 |
0.51 |
0 |
|
|
265834 |
103551463 |
1 |
NF2O4H11C14 |
AB2C4D11E14 |
-238.28 |
6.36 |
-10.25 |
-1.28 |
0 |
|
|
265835 |
103552387 |
1 |
O2N3C12H17 |
A2B3C12D17 |
-38.52 |
2.35 |
-9.58 |
0.26 |
0 |
|
|
265836 |
103553013 |
1 |
ClFO2N3C8H9 |
ABC2D3E8F9 |
-120.9 |
1.53 |
-8.44 |
-0.02 |
0 |
|
|
265837 |
103553218 |
1 |
ClFN3C14H21 |
ABC3D14E21 |
-60.54 |
3.01 |
-8.21 |
0.25 |
0 |
|
|
265838 |
103553232 |
1 |
ClFN3C16H17 |
ABC3D16E17 |
-17.98 |
3.79 |
-8.16 |
0.1 |
0 |
|
|
265839 |
103553263 |
1 |
ClFO2S2N3C12H17 |
ABC2D2E3F12G17 |
-116.9 |
8.4 |
-8.62 |
-0.22 |
0 |
|
|
265840 |
103553403 |
1 |
ClFON3C14H21 |
ABCD3E14F21 |
-105.82 |
4.69 |
-8.28 |
0.17 |
0 |
|
|
265841 |
103553406 |
1 |
ClFON3C10H13 |
ABCD3E10F13 |
-54.61 |
4.32 |
-8.35 |
0.13 |
0 |
|
|
265842 |
103553488 |
1 |
ClFON3C11H17 |
ABCD3E11F17 |
-101.63 |
1.58 |
-8.21 |
0.15 |
0 |
|
|
265843 |
103553737 |
1 |
ClFON3C10H15 |
ABCD3E10F15 |
-74.23 |
3.22 |
-8.35 |
0.02 |
0 |
|
|
265844 |
103554006 |
1 |
NO4C14H23 |
AB4C14D23 |
-193.19 |
3.01 |
-9.16 |
0.02 |
0 |
|
|
265845 |
103554261 |
1 |
NO5C13H25 |
AB5C13D25 |
-255.83 |
3.92 |
-9.4 |
0.72 |
0 |
|
|
265846 |
103554312 |
1 |
FNO4C16H22 |
ABC4D16E22 |
-225.95 |
3.7 |
-9.41 |
-0.26 |
0 |
|
|
265847 |
103554336 |
1 |
N2O3C13H24 |
A2B3C13D24 |
-147.57 |
0.93 |
-9.37 |
0.87 |
0 |
|
|
265848 |
103554520 |
1 |
N3O3C16H25 |
A3B3C16D25 |
-131.07 |
1.16 |
-9.24 |
0.04 |
0 |
|
|
265849 |
103554586 |
1 |
N4O4C13H14 |
A4B4C13D14 |
-45.97 |
8.79 |
-9.45 |
-1.29 |
0 |
|
|
265850 |
103554665 |
2 |
N2O2C5H8 |
A2B2C5D8 |
-83.19 |
7.45 |
-9.07 |
-0.62 |
0 |
|
|
265851 |
103554703 |
1 |
N4O4C13H18 |
A4B4C13D18 |
-73.94 |
6.26 |
-9.75 |
-1.04 |
0 |
|
|
265852 |
103554720 |
1 |
O3N4C12H18 |
A3B4C12D18 |
-26.96 |
10.01 |
-9.02 |
-0.54 |
0 |
|
|
265853 |
103554725 |
1 |
SN3O4C8H11 |
AB3C4D8E11 |
-71.09 |
10.04 |
-9.78 |
-1.59 |
0 |
|
|
265854 |
103554765 |
1 |
BrN3O4C12H12 |
AB3C4D12E12 |
-20.07 |
7.32 |
-9.08 |
-0.61 |
0 |
|
|
265855 |
103554776 |
1 |
O2N5C12H19 |
A2B5C12D19 |
13.97 |
8.61 |
-9.15 |
-0.76 |
0 |
|
|
265856 |
103554779 |
1 |
O3N4C9H16 |
A3B4C9D16 |
-37.19 |
9.17 |
-8.97 |
-0.47 |
0 |
|
|
265857 |
103554787 |
1 |
O3N5C9H15 |
A3B5C9D15 |
-37.86 |
9.41 |
-9.54 |
-1.08 |
0 |
|
|
265858 |
103554976 |
1 |
O2N5C12H21 |
A2B5C12D21 |
13.08 |
9.62 |
-8.85 |
-0.34 |
0 |
|
|
265859 |
103555282 |
1 |
N2O2C17H26 |
A2B2C17D26 |
-74.77 |
5.01 |
-8.94 |
0.34 |
0 |
|
|
265860 |
103555631 |
1 |
NSO4C13H17 |
ABC4D13E17 |
-164.39 |
2.3 |
-9.03 |
-0.79 |
0 |
|
|
265861 |
103555840 |
1 |
N3O3C14H25 |
A3B3C14D25 |
-139.71 |
4.84 |
-8.73 |
0.28 |
0 |
|
|
265862 |
103555842 |
1 |
N2O2C13H24 |
A2B2C13D24 |
-103.46 |
3.32 |
-9.11 |
1.15 |
0 |
|
|
265863 |
103555844 |
1 |
N2O3C13H24 |
A2B3C13D24 |
-143.16 |
2.89 |
-9.27 |
1.01 |
0 |
|
|
265864 |
103555876 |
1 |
O2C17H24 |
A2B17C24 |
-72.46 |
2.8 |
-9.57 |
-0.33 |
0 |
|
|
265865 |
103555878 |
1 |
NO3C15H19 |
AB3C15D19 |
-110.73 |
2.62 |
-9.04 |
-0.4 |
0 |
|
|
265866 |
103555883 |
1 |
F2O2C13H14 |
A2B2C13D14 |
-146.57 |
1.79 |
-9.98 |
-1.09 |
0 |
|
|
265867 |
103555886 |
1 |
BrO2C13H15 |
AB2C13D15 |
-53.56 |
2.35 |
-9.94 |
-0.89 |
0 |
|
|
265868 |
103555920 |
1 |
NO4C12H15 |
AB4C12D15 |
-139.12 |
4.27 |
-10.03 |
-0.78 |
0 |
|
|
265869 |
103555929 |
1 |
BrNO4C15H16 |
ABC4D15E16 |
-127.55 |
2.68 |
-9.34 |
-1.12 |
0 |
|
|
265870 |
103555930 |
1 |
NO3C15H19 |
AB3C15D19 |
-95.36 |
4.34 |
-9.14 |
-0.69 |
0 |
|
|
265871 |
103555931 |
1 |
NO4C16H19 |
AB4C16D19 |
-139.49 |
1.83 |
-9.02 |
-0.74 |
0 |
|
|
265872 |
103555932 |
1 |
N2O2C11H16 |
A2B2C11D16 |
-55.68 |
2.4 |
-9.46 |
0.2 |
0 |
|
|
265873 |
103555933 |
1 |
NO2C16H19 |
AB2C16D19 |
-49.59 |
3.37 |
-8.59 |
-0.34 |
0 |
|
|
265874 |
103555936 |
1 |
NO3C17H21 |
AB3C17D21 |
-110.98 |
2.31 |
-9.18 |
-0.8 |
0 |
|
|
265875 |
103555938 |
1 |
Cl2O2C13H14 |
A2B2C13D14 |
-74.05 |
2.47 |
-9.75 |
-0.9 |
0 |
|
|
265876 |
103555939 |
1 |
SCl2O2C11H12 |
AB2C2D11E12 |
-53.24 |
3.41 |
-9.62 |
-1.18 |
0 |
|
|
265877 |
103555944 |
1 |
ClNO3C15H16 |
ABC3D15E16 |
-107.83 |
1.86 |
-9.44 |
-0.93 |
0 |
|
|
265878 |
103555945 |
1 |
FNO3C16H18 |
ABC3D16E18 |
-157.54 |
2.7 |
-9.42 |
-0.87 |
0 |
|
|
265879 |
103555948 |
1 |
O5C16H22 |
A5B16C22 |
-169.18 |
2.08 |
-8.85 |
-0.03 |
0 |
|
|
265880 |
103555949 |
1 |
O3C15H20 |
A3B15C20 |
-105.8 |
3.44 |
-8.93 |
-0.35 |
0 |
|
|
265881 |
103555953 |
1 |
BrSO2C11H13 |
ABC2D11E13 |
-42.47 |
3.48 |
-9.57 |
-1.19 |
0 |
|
|
265882 |
103555955 |
1 |
SO2C12H16 |
AB2C12D16 |
-61.96 |
1.35 |
-9.04 |
-0.66 |
0 |
|
|
265883 |
103555966 |
1 |
N2O3C16H20 |
A2B3C16D20 |
-89.92 |
3.63 |
-8.68 |
-0.64 |
0 |
|
|
265884 |
103555967 |
1 |
O3C13H18 |
A3B13C18 |
-101.09 |
5.26 |
-9.5 |
-0.44 |
0 |
|
|
265885 |
103555994 |
1 |
BrO2C17H17 |
AB2C17D17 |
-35.81 |
2.82 |
-9.27 |
-1.15 |
0 |
|
|
265886 |
103555995 |
1 |
BrFO2C13H14 |
ABC2D13E14 |
-98.93 |
3.25 |
-10.04 |
-1.08 |
0 |
|
|
265887 |
103555996 |
1 |
FO2C14H17 |
AB2C14D17 |
-111.55 |
3.07 |
-9.73 |
-0.63 |
0 |
|
|
265888 |
103555997 |
1 |
BrSO2C12H15 |
ABC2D12E15 |
-52.7 |
3.56 |
-9.16 |
-0.99 |
0 |
|
|
265889 |
103555999 |
1 |
BrO4C15H19 |
AB4C15D19 |
-136.32 |
5.43 |
-9.26 |
-0.37 |
0 |
|
|
265890 |
103556000 |
2 |
FOC7H8 |
ABC7D8 |
-157.15 |
2.34 |
-9.82 |
-0.86 |
0 |
|
|
265891 |
103556001 |
1 |
BrO3C11H13 |
AB3C11D13 |
-78.79 |
3.5 |
-9.89 |
-0.97 |
0 |
|
|
265892 |
103556002 |
1 |
NO3C17H21 |
AB3C17D21 |
-110.46 |
3.37 |
-9.16 |
-0.68 |
0 |
|
|
265893 |
103556006 |
1 |
BrSO2C11H13 |
ABC2D11E13 |
-48.19 |
3.87 |
-9.48 |
-1.16 |
0 |
|
|
265894 |
103556007 |
1 |
NO3C17H21 |
AB3C17D21 |
-68.83 |
4.99 |
-8.43 |
-0.36 |
0 |
|
|
265895 |
103556008 |
1 |
ClFO2C14H16 |
ABC2D14E16 |
-120.45 |
3.14 |
-9.49 |
-0.47 |
0 |
|
|
265896 |
103556011 |
1 |
SO2C13H18 |
AB2C13D18 |
-74.15 |
2.3 |
-8.96 |
-0.53 |
0 |
|
|
265897 |
103556018 |
1 |
Cl2O3C14H16 |
A2B3C14D16 |
-112.22 |
3.32 |
-9.19 |
-0.47 |
0 |
|
|
265898 |
103556025 |
1 |
NO3C17H21 |
AB3C17D21 |
-93.51 |
4.48 |
-9.81 |
-0.91 |
0 |
|
|
265899 |
103556049 |
1 |
ON4C8H14 |
AB4C8D14 |
4.56 |
1.74 |
-8.97 |
0.32 |
0 |