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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
130807 |
51110841 |
1 |
SN4O6C18H24 |
AB4C6D18E24 |
-204.25 |
11.21 |
-9.08 |
-0.8 |
0 |
|
|
130808 |
51110930 |
1 |
SO2N4H20C21 |
AB2C4D20E21 |
60.99 |
3.14 |
-8.76 |
-1.11 |
0 |
|
|
130809 |
51111245 |
1 |
N2O3C19H22 |
A2B3C19D22 |
-79.23 |
2.63 |
-8.28 |
-0.35 |
0 |
|
|
130810 |
51111265 |
1 |
N2O2H16C21 |
A2B2C16D21 |
28.14 |
4.44 |
-9.27 |
-0.76 |
0 |
|
|
130811 |
51111314 |
1 |
N2O3C16H24 |
A2B3C16D24 |
-138.06 |
7.82 |
-8.73 |
-0.13 |
0 |
|
|
130812 |
51112605 |
1 |
O2F3N3H14C19 |
A2B3C3D14E19 |
-180.45 |
4.26 |
-8.64 |
-1.04 |
0 |
|
|
130813 |
51112864 |
1 |
N3O3C22H25 |
A3B3C22D25 |
-82.82 |
1.79 |
-8.97 |
-0.25 |
0 |
|
|
130814 |
51112962 |
1 |
SO3N4C17H18 |
AB3C4D17E18 |
-69.78 |
7.05 |
-9.1 |
-1.39 |
0 |
|
|
130815 |
51113217 |
1 |
SN2O4C16H20 |
AB2C4D16E20 |
-139.73 |
3.51 |
-8.75 |
-0.49 |
0 |
|
|
130816 |
51113315 |
1 |
F2O3N4H12C15 |
A2B3C4D12E15 |
-124.66 |
1.1 |
-9.91 |
-0.92 |
0 |
|
|
130817 |
51113555 |
1 |
ClOSC15H15 |
ABCD15E15 |
-3.37 |
4.16 |
-8.57 |
-0.44 |
0 |
|
|
130818 |
51113928 |
1 |
N2O2C19H22 |
A2B2C19D22 |
-34.46 |
4.85 |
-9.29 |
-0.88 |
0 |
|
|
130819 |
51113936 |
1 |
OF3N5H14C16 |
AB3C5D14E16 |
-118.48 |
4.23 |
-9.17 |
-0.98 |
0 |
|
|
130820 |
51114533 |
1 |
ON4C25H30 |
AB4C25D30 |
19.24 |
6.64 |
-7.94 |
-1.19 |
0 |
|
|
130821 |
51114534 |
1 |
ON3C21H33 |
AB3C21D33 |
-50.62 |
4.74 |
-8.13 |
0.58 |
0 |
|
|
130822 |
51114993 |
1 |
ClSN2O5C20H31 |
ABC2D5E20F31 |
-213.56 |
2.45 |
-8.94 |
-0.52 |
0 |
|
|
130823 |
51114994 |
1 |
O2N5C21H31 |
A2B5C21D31 |
-32.92 |
2.53 |
-9.06 |
-0.28 |
0 |
|
|
130824 |
51114995 |
1 |
SO2N5C13H19 |
AB2C5D13E19 |
-43.97 |
6.5 |
-9.28 |
-0.26 |
0 |
|
|
130825 |
51115087 |
1 |
FN2O4C20H21 |
AB2C4D20E21 |
-176.82 |
7.22 |
-9.32 |
-0.57 |
0 |
|
|
130826 |
51115100 |
1 |
O2N3C21H25 |
A2B3C21D25 |
-3.04 |
7.23 |
-8.39 |
-0.41 |
0 |
|
|
130827 |
51115247 |
1 |
SO2N4C14H22 |
AB2C4D14E22 |
-66.24 |
1.5 |
-9.38 |
-0.96 |
0 |
|
|
130828 |
51115346 |
2 |
N2O2C9H14 |
A2B2C9D14 |
-163.78 |
3.83 |
-8.17 |
0.05 |
0 |
|
|
130829 |
51115347 |
1 |
ClN3O3C18H20 |
AB3C3D18E20 |
-96.69 |
2.78 |
-8.22 |
-0.2 |
0 |
|
|
130830 |
51115771 |
1 |
O2F3N3H18C19 |
A2B3C3D18E19 |
-197.22 |
5.04 |
-9.73 |
-0.74 |
0 |
|
|
130831 |
51115772 |
1 |
F3N4O4C18H19 |
A3B4C4D18E19 |
-316.89 |
8.37 |
-9.91 |
-0.97 |
0 |
|
|
130832 |
51115773 |
1 |
ClFN2O2H16C20 |
ABC2D2E16F20 |
-52.52 |
4.46 |
-9.17 |
-0.85 |
0 |
|
|
130833 |
51115774 |
3 |
NOC7H9 |
ABC7D9 |
-102.12 |
4.57 |
-9.07 |
-0.4 |
0 |
|
|
130834 |
51115775 |
3 |
NOC7H7 |
ABC7D7 |
-36.09 |
4.51 |
-8.84 |
-0.75 |
0 |
|
|
130835 |
51115776 |
1 |
O2F3N4H13C18 |
A2B3C4D13E18 |
-131.43 |
11.86 |
-8.89 |
-1.15 |
0 |
|
|
130836 |
51115777 |
1 |
F3N3O3H14C17 |
A3B3C3D14E17 |
-201.28 |
4.73 |
-9.12 |
-1.02 |
0 |
|
|
130837 |
51115778 |
1 |
O3N4C19H24 |
A3B4C19D24 |
-104.38 |
5.37 |
-8.82 |
-0.63 |
0 |
|
|
130838 |
51115779 |
1 |
ClO2N3C18H20 |
AB2C3D18E20 |
-5.53 |
5.46 |
-9.09 |
-1.12 |
0 |
|
|
130839 |
51116102 |
1 |
O3N4C18H22 |
A3B4C18D22 |
-75.2 |
6.76 |
-9.26 |
-0.61 |
0 |
|
|
130840 |
51116248 |
1 |
NSO4C16H17 |
ABC4D16E17 |
-107.22 |
2.78 |
-8.53 |
-0.43 |
0 |
|
|
130841 |
51116268 |
1 |
ON4C21H22 |
AB4C21D22 |
39.79 |
2.19 |
-8.62 |
-0.96 |
0 |
|
|
130842 |
51116269 |
1 |
N2O5C20H24 |
A2B5C20D24 |
-199.23 |
4.85 |
-9.53 |
-1.49 |
0 |
|
|
130843 |
51116270 |
1 |
Cl2N2O3C15H24 |
A2B2C3D15E24 |
-173.24 |
2.17 |
-9.66 |
0.09 |
0 |
|
|
130844 |
51116458 |
1 |
N2O3C11H22 |
A2B3C11D22 |
-164.11 |
2.09 |
-9.4 |
0.51 |
0 |
|
|
130845 |
51116459 |
2 |
FNO2C8H9 |
ABC2D8E9 |
-255.75 |
8.44 |
-8.95 |
-0.54 |
0 |
|
|
130846 |
51116460 |
1 |
SO2N3C18H25 |
AB2C3D18E25 |
-47.46 |
4.95 |
-8.6 |
0.18 |
0 |
|
|
130847 |
51116493 |
1 |
N3O3C21H25 |
A3B3C21D25 |
-91.73 |
5.13 |
-8.41 |
-0.63 |
0 |
|
|
130848 |
51116724 |
2 |
ON3C10H10 |
AB3C10D10 |
12.66 |
3.05 |
-8.88 |
-0.6 |
0 |
|
|
130849 |
51116725 |
1 |
F3O3N4C18H25 |
A3B3C4D18E25 |
-269.52 |
8.26 |
-9.01 |
-0.16 |
0 |
|
|
130850 |
51116873 |
2 |
ON2C12H15 |
AB2C12D15 |
-50.01 |
6.32 |
-8.28 |
-0.32 |
0 |
|
|
130851 |
51117076 |
1 |
F2N2O5H12C17 |
A2B2C5D12E17 |
-165.64 |
7.26 |
-9.84 |
-1.46 |
0 |
|
|
130852 |
51117702 |
1 |
ClOF2N3C16H16 |
ABC2D3E16F16 |
-93.08 |
5.26 |
-8.15 |
-1.19 |
0 |
|
|
130853 |
51117703 |
1 |
ClN3O3C17H18 |
AB3C3D17E18 |
-64.6 |
4.81 |
-8.09 |
-0.82 |
0 |
|
|
130854 |
51118096 |
1 |
ON6C18H30 |
AB6C18D30 |
-25.57 |
6.32 |
-9.07 |
-0.1 |
0 |
|
|
130855 |
51118097 |
1 |
FSN2O3H15C18 |
ABC2D3E15F18 |
-95.1 |
4.76 |
-9.3 |
-0.76 |
0 |
|
|
130856 |
51118098 |
1 |
FSN2O2H13C17 |
ABC2D2E13F17 |
-49.85 |
3.76 |
-9.38 |
-0.93 |
0 |
|
|
130857 |
51118560 |
1 |
SO2F3N5C14H14 |
AB2C3D5E14F14 |
-175.91 |
7.65 |
-9.92 |
-1.45 |
0 |
|
|
130858 |
51118874 |
1 |
N2O4C21H26 |
A2B4C21D26 |
-133.17 |
5.49 |
-8.74 |
-0.09 |
0 |
|
|
130859 |
51118875 |
1 |
N2O4C21H26 |
A2B4C21D26 |
-120.59 |
3.7 |
-8.85 |
0.06 |
0 |
|
|
130860 |
51118876 |
1 |
N3O3C25H33 |
A3B3C25D33 |
-89.97 |
4.54 |
-8.68 |
0.23 |
0 |
|
|
130861 |
51118877 |
1 |
OSN4C13H22 |
ABC4D13E22 |
-3.45 |
4.57 |
-8.93 |
-0.97 |
0 |
|
|
130862 |
51118878 |
1 |
N2O3C23H24 |
A2B3C23D24 |
-44.23 |
5.37 |
-8.93 |
-0.84 |
0 |
|
|
130863 |
51118879 |
2 |
ON2C10H13 |
AB2C10D13 |
-49.07 |
3.29 |
-8.59 |
-0.77 |
0 |
|
|
130864 |
51118880 |
2 |
NO2H9C10 |
AB2C9D10 |
-66.41 |
2.55 |
-8.84 |
-1.16 |
0 |
|
|
130865 |
51118881 |
1 |
O2N4H16C21 |
A2B4C16D21 |
41.7 |
4.32 |
-9.14 |
-1.36 |
0 |
|
|
130866 |
51118884 |
1 |
N3O3C20H25 |
A3B3C20D25 |
-84.95 |
5.09 |
-8.81 |
-0.42 |
0 |
|
|
130867 |
51118938 |
1 |
FOSN3H16C21 |
ABCD3E16F21 |
28.18 |
4.03 |
-8.92 |
-1.19 |
0 |
|
|
130868 |
51119253 |
1 |
ClOSN2C17H25 |
ABCD2E17F25 |
-53.05 |
4.18 |
-8.73 |
-0.66 |
0 |
|
|
130869 |
51119254 |
1 |
ClN2O5H17C18 |
AB2C5D17E18 |
-154.41 |
2.73 |
-8.98 |
-0.46 |
0 |
|
|
130870 |
51119321 |
1 |
NS2O4C17H17 |
AB2C4D17E17 |
-117.88 |
2.15 |
-9.12 |
-1.23 |
0 |
|
|
130871 |
51119578 |
2 |
ON3C9H14 |
AB3C9D14 |
-57.49 |
5.22 |
-8.63 |
0.07 |
0 |
|
|
130872 |
51119579 |
2 |
NOC10H10 |
ABC10D10 |
19.33 |
4.63 |
-8.37 |
0.12 |
0 |
|
|
130873 |
51119580 |
1 |
N3O3H17C19 |
A3B3C17D19 |
52.45 |
9.77 |
-9.29 |
-1.2 |
0 |
|
|
130874 |
51119581 |
1 |
ON3H17C20 |
AB3C17D20 |
88.42 |
8.11 |
-9.15 |
-0.6 |
0 |
|
|
130875 |
51119582 |
1 |
BrN2O3H15C19 |
AB2C3D15E19 |
-54.12 |
4.24 |
-8.64 |
-1.1 |
0 |
|
|
130876 |
51119583 |
1 |
N3O4H15C18 |
A3B4C15D18 |
-59.23 |
4.38 |
-8.71 |
-0.86 |
0 |
|
|
130877 |
51119584 |
1 |
N2O3H20C21 |
A2B3C20D21 |
-79.7 |
4.38 |
-8.44 |
-0.69 |
0 |
|
|
130878 |
51119868 |
1 |
SO3N6C21H24 |
AB3C6D21E24 |
-22.46 |
6.03 |
-9.21 |
-1.31 |
0 |
|
|
130879 |
51120444 |
1 |
ClSN2O3H15C18 |
ABC2D3E15F18 |
-49.27 |
3.04 |
-9.15 |
-0.47 |
0 |
|
|
130880 |
51120445 |
1 |
NSO3H17C20 |
ABC3D17E20 |
-47.65 |
4.29 |
-8.64 |
-0.99 |
0 |
|
|
130881 |
51120446 |
1 |
N3O3C20H21 |
A3B3C20D21 |
-57.0 |
2.83 |
-9.27 |
-0.92 |
0 |
|
|
130882 |
51120447 |
1 |
NO2F3H18C22 |
AB2C3D18E22 |
-178.33 |
6.7 |
-9.22 |
-0.76 |
0 |
|
|
130883 |
51120448 |
1 |
ClN2O5H15C19 |
AB2C5D15E19 |
-53.7 |
3.48 |
-9.32 |
-2.03 |
0 |
|
|
130884 |
51120750 |
1 |
O2N3C18H27 |
A2B3C18D27 |
-87.21 |
3.65 |
-8.12 |
0.39 |
0 |
|
|
130885 |
51121192 |
1 |
SO2N3C18H27 |
AB2C3D18E27 |
-51.99 |
4.66 |
-9.12 |
-0.31 |
0 |
|
|
130886 |
51121532 |
1 |
O2F3N3H16C18 |
A2B3C3D16E18 |
-153.38 |
9.09 |
-9.18 |
-0.6 |
0 |
|
|
130887 |
51121831 |
1 |
OSN5C17H19 |
ABC5D17E19 |
42.93 |
8.07 |
-9.58 |
-1.34 |
0 |
|
|
130888 |
51122661 |
1 |
O2S2N3C18H25 |
A2B2C3D18E25 |
-68.15 |
3.71 |
-9.15 |
-0.36 |
0 |
|
|
130889 |
51122772 |
1 |
N5O5C25H27 |
A5B5C25D27 |
-128.61 |
3.03 |
-8.83 |
-0.8 |
0 |
|
|
130890 |
51122773 |
1 |
N3O4C20H25 |
A3B4C20D25 |
-108.45 |
5.07 |
-8.85 |
-0.35 |
0 |
|
|
130891 |
51122967 |
1 |
SN3O3H17C18 |
AB3C3D17E18 |
-36.47 |
3.32 |
-9.06 |
-1.06 |
0 |
|
|
130892 |
51123251 |
1 |
N2O3C21H22 |
A2B3C21D22 |
-56.79 |
2.67 |
-8.8 |
-0.53 |
0 |
|
|
130893 |
51123528 |
1 |
SN3O3C19H25 |
AB3C3D19E25 |
-137.04 |
2.17 |
-8.83 |
-0.7 |
0 |
|
|
130894 |
51123562 |
1 |
NO4C18H23 |
AB4C18D23 |
-169.28 |
2.6 |
-9.05 |
0.0 |
0 |
|
|
130895 |
51123563 |
1 |
NO4C16H23 |
AB4C16D23 |
-185.83 |
4.21 |
-9.18 |
0.17 |
0 |
|
|
130896 |
51123564 |
1 |
BrN2O3C14H19 |
AB2C3D14E19 |
-128.46 |
0.95 |
-9.42 |
-0.29 |
0 |
|
|
130897 |
51123586 |
1 |
BrN3O3H12C16 |
AB3C3D12E16 |
-66.73 |
4.92 |
-9.2 |
-1.43 |
0 |
|
|
130898 |
51123606 |
1 |
Cl2O2N3C17H19 |
A2B2C3D17E19 |
-79.77 |
4.24 |
-9.03 |
-1.08 |
0 |
|
|
130899 |
51123707 |
1 |
ClSO2N3C17H18 |
ABC2D3E17F18 |
-45.86 |
2.86 |
-9.24 |
-0.74 |
0 |
|
|
130900 |
51123925 |
1 |
SO3N5C16H23 |
AB3C5D16E23 |
-40.25 |
7.49 |
-9.13 |
-0.2 |
0 |
|
|
130901 |
51124167 |
1 |
SN3O3C16H17 |
AB3C3D16E17 |
-15.53 |
12.04 |
-9.13 |
-1.12 |
0 |
|
|
130902 |
51124922 |
1 |
BrON3C18H28 |
ABC3D18E28 |
-50.36 |
6.73 |
-8.96 |
-0.02 |
0 |
|
|
130903 |
51125586 |
1 |
O3N4C19H28 |
A3B4C19D28 |
-32.0 |
6.02 |
-8.5 |
-0.97 |
0 |
|
|
130904 |
51125587 |
1 |
ClO2N4C17H25 |
AB2C4D17E25 |
4.21 |
8.52 |
-8.53 |
-1.23 |
0 |
|
|
130905 |
51125767 |
1 |
ClFNO3C17H17 |
ABCD3E17F17 |
-145.05 |
3.09 |
-8.99 |
-0.89 |
0 |
|
|
130906 |
51125818 |
1 |
ON4C22H24 |
AB4C22D24 |
37.32 |
3.08 |
-8.69 |
-0.23 |
0 |