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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
16791 |
476855 |
1 |
O4C19H24 |
A4B19C24 |
-151.39 |
1.68 |
-8.52 |
0.04 |
0 |
|
|
16792 |
476876 |
1 |
N5O7C24H25 |
A5B7C24D25 |
-182.61 |
5.01 |
-9.08 |
-0.76 |
0 |
|
|
16793 |
476877 |
2 |
N2O3C12H12 |
A2B3C12D12 |
-150.59 |
13.37 |
-8.99 |
-0.7 |
0 |
|
|
16794 |
476882 |
1 |
N3O3C19H19 |
A3B3C19D19 |
31.36 |
6.9 |
-9.41 |
-1.06 |
0 |
|
|
16795 |
476906 |
2 |
O2C15H22 |
A2B15C22 |
-167.0 |
7.56 |
-9.23 |
0.57 |
0 |
|
|
16796 |
476990 |
1 |
PS4N5O9C18H30 |
AB4C5D9E18F30 |
-400.27 |
7.44 |
-9.12 |
-1.33 |
0 |
|
|
16797 |
477027 |
1 |
O6C25H38 |
A6B25C38 |
-287.83 |
2.72 |
-10.23 |
-0.16 |
0 |
|
|
16798 |
477030 |
1 |
NO8C34H43 |
AB8C34D43 |
-273.23 |
5.04 |
-9.72 |
-0.6 |
0 |
|
|
16799 |
477031 |
1 |
NO8C34H43 |
AB8C34D43 |
-267.74 |
8.67 |
-9.85 |
-0.79 |
0 |
|
|
16800 |
477062 |
1 |
NSO4C29H39 |
ABC4D29E39 |
-175.98 |
6.52 |
-7.98 |
-0.09 |
0 |
|
|
16801 |
477063 |
1 |
SO3C27H34 |
AB3C27D34 |
-121.7 |
6.91 |
-8.02 |
-0.21 |
0 |
|
|
16802 |
477064 |
1 |
SO4C28H36 |
AB4C28D36 |
-168.65 |
6.48 |
-8.16 |
-0.27 |
0 |
|
|
16803 |
477066 |
1 |
SO5C29H38 |
AB5C29D38 |
-206.83 |
6.15 |
-7.91 |
-0.22 |
0 |
|
|
16804 |
477068 |
1 |
PS2N5O9C28H30 |
AB2C5D9E28F30 |
-314.53 |
10.89 |
-9.12 |
-1.31 |
0 |
|
|
16805 |
477069 |
1 |
PN5O11C22H34 |
AB5C11D22E34 |
-508.84 |
7.53 |
-9.54 |
-0.53 |
0 |
|
|
16806 |
477070 |
1 |
O5C22H26 |
A5B22C26 |
-190.09 |
11.75 |
-8.96 |
-1.0 |
0 |
|
|
16807 |
477071 |
1 |
O5C22H30 |
A5B22C30 |
-228.05 |
10.69 |
-8.68 |
-0.83 |
0 |
|
|
16808 |
477072 |
1 |
P2N10O13C20H26 |
A2B10C13D20E26 |
-541.7 |
1.94 |
-9.82 |
-1.08 |
0 |
|
|
16809 |
477074 |
1 |
BrPN6O9C27H32 |
ABC6D9E27F32 |
-332.8 |
2.28 |
-9.62 |
-1.17 |
0 |
|
|
16810 |
477075 |
1 |
BrPN6O9C23H30 |
ABC6D9E23F30 |
-319.05 |
6.19 |
-8.39 |
-1.73 |
0 |
|
|
16811 |
477076 |
1 |
BrPSN6O9C23H32 |
ABCD6E9F23G32 |
-366.13 |
11.16 |
-9.15 |
-0.97 |
0 |
|
|
16812 |
477077 |
1 |
BrPN7O9C29H33 |
ABC7D9E29F33 |
-220.0 |
4.71 |
-8.77 |
-1.46 |
0 |
|
|
16813 |
477078 |
1 |
PBr2N6O9C27H31 |
AB2C6D9E27F31 |
-331.56 |
4.57 |
-9.5 |
-1.39 |
0 |
|
|
16814 |
477079 |
1 |
PBr2N6O9C23H29 |
AB2C6D9E23F29 |
-348.68 |
5.61 |
-9.66 |
-1.14 |
0 |
|
|
16815 |
477080 |
1 |
PBr2N6O9C24H33 |
AB2C6D9E24F33 |
-381.85 |
5.93 |
-9.45 |
-1.56 |
0 |
|
|
16816 |
477081 |
1 |
PBr2N7O9C29H32 |
AB2C7D9E29F32 |
-305.65 |
4.99 |
-8.51 |
-1.3 |
0 |
|
|
16817 |
477082 |
1 |
BrPN8O11C29H32 |
ABC8D11E29F32 |
-312.05 |
5.58 |
-8.63 |
-1.52 |
0 |
|
|
16818 |
477084 |
1 |
N10O11C35H60 |
A10B11C35D60 |
-385.19 |
12.36 |
-9.36 |
-0.54 |
0 |
|
|
16819 |
477085 |
1 |
SO5C28H36 |
AB5C28D36 |
-213.78 |
6.76 |
-8.04 |
-0.33 |
0 |
|
|
16820 |
477086 |
1 |
NSO4C28H37 |
ABC4D28E37 |
-172.82 |
7.42 |
-8.04 |
-0.24 |
0 |
|
|
16821 |
477087 |
1 |
SO5C30H40 |
AB5C30D40 |
-223.63 |
2.36 |
-8.68 |
-0.37 |
0 |
|
|
16828 |
477098 |
1 |
N7O18C57H67 |
A7B18C57D67 |
-680.92 |
8.64 |
-8.57 |
-0.85 |
0 |
|
|
16829 |
477106 |
2 |
N4C15H21 |
A4B15C21 |
106.32 |
3.87 |
-8.46 |
-0.26 |
0 |
|
|
16830 |
477118 |
1 |
ClNF3O3H11C18 |
ABC3D3E11F18 |
-182.51 |
5.67 |
-9.25 |
-1.09 |
0 |
|
|
16831 |
477149 |
1 |
ClNOSC16H20 |
ABCDE16F20 |
-41.45 |
1.51 |
-8.86 |
-0.7 |
0 |
|
|
16832 |
477188 |
1 |
ClSN2O2C14H15 |
ABC2D2E14F15 |
4.92 |
2.5 |
-8.92 |
-0.37 |
0 |
|
|
16833 |
477194 |
1 |
FN3O4C8H10 |
AB3C4D8E10 |
-183.35 |
3.39 |
-9.51 |
-0.59 |
0 |
|
|
16834 |
477220 |
1 |
Cl2N7C19H23 |
A2B7C19D23 |
49.86 |
9.72 |
-8.56 |
-0.74 |
0 |
|
|
16835 |
477230 |
1 |
OCl2N7C25H29 |
AB2C7D25E29 |
34.5 |
8.67 |
-8.57 |
-0.77 |
0 |
|
|
16836 |
477231 |
1 |
Cl4N7C18H21 |
A4B7C18D21 |
45.06 |
10.08 |
-8.84 |
-1.13 |
0 |
|
|
16837 |
477239 |
1 |
N7C20H29 |
A7B20C29 |
49.97 |
4.36 |
-8.25 |
-0.36 |
0 |
|
|
16838 |
477271 |
1 |
N3C29H51 |
A3B29C51 |
-56.19 |
3.85 |
-8.59 |
1.07 |
0 |
|
|
16839 |
477317 |
1 |
OSCl2N3H9C14 |
ABC2D3E9F14 |
62.76 |
4.34 |
-9.04 |
-0.99 |
0 |
|
|
16840 |
477444 |
1 |
BrSN2H9C13 |
ABC2D9E13 |
89.56 |
3.12 |
-9.14 |
-1.18 |
0 |
|
|
16841 |
477449 |
1 |
SN4O4H8C13 |
AB4C4D8E13 |
83.11 |
6.38 |
-9.47 |
-2.2 |
0 |
|
|
16842 |
477480 |
1 |
SN3O4H17C21 |
AB3C4D17E21 |
-53.44 |
3.91 |
-8.97 |
-1.21 |
0 |
|
|
16843 |
477481 |
1 |
SO3N4H18C21 |
AB3C4D18E21 |
-20.11 |
4.68 |
-9.01 |
-1.22 |
0 |
|
|
16844 |
477482 |
1 |
SO3N4H18C21 |
AB3C4D18E21 |
-21.19 |
4.95 |
-8.91 |
-1.22 |
0 |
|
|
16845 |
477544 |
1 |
O5C20H22 |
A5B20C22 |
-150.54 |
7.27 |
-9.2 |
-0.73 |
0 |
|
|
16846 |
477568 |
1 |
NSO4H11C12 |
ABC4D11E12 |
-136.7 |
7.25 |
-9.67 |
-0.6 |
0 |
|
|
16847 |
477569 |
1 |
SN2O8C18H28 |
AB2C8D18E28 |
-401.08 |
3.85 |
-10.03 |
-1.08 |
0 |
|
|
16848 |
477585 |
2 |
S3O9H10C15 |
A3B9C10D15 |
-600.03 |
4.23 |
-10.02 |
-2.44 |
0 |
|
|
16849 |
477598 |
1 |
NO20C41H47 |
AB20C41D47 |
-820.67 |
3.64 |
-9.99 |
-0.93 |
0 |
|
|
16850 |
477644 |
1 |
ON4C12H16 |
AB4C12D16 |
21.65 |
3.84 |
-8.93 |
-0.31 |
0 |
|
|
16851 |
477650 |
1 |
Cl2H3N3C9 |
A2B3C3D9 |
89.05 |
3.95 |
-10.08 |
-2.11 |
0 |
|
|
16852 |
477674 |
1 |
N3O5C14H25 |
A3B5C14D25 |
-184.65 |
3.17 |
-9.92 |
-0.79 |
0 |
|
|
16853 |
477690 |
1 |
O4N5C38H57 |
A4B5C38D57 |
-205.03 |
3.44 |
-9.0 |
-0.23 |
0 |
|
|
16854 |
477740 |
1 |
F2N4O11C50H60 |
A2B4C11D50E60 |
-506.59 |
6.31 |
-8.84 |
-0.71 |
0 |
|
|
16855 |
477752 |
1 |
NS2O6C26H33 |
AB2C6D26E33 |
-244.12 |
5.51 |
-8.17 |
-0.3 |
0 |
|
|
16856 |
477762 |
1 |
NS2F3O5C34H38 |
AB2C3D5E34F38 |
-326.92 |
4.59 |
-8.37 |
-1.38 |
0 |
|
|
16857 |
477765 |
1 |
NS3O5C31H37 |
AB3C5D31E37 |
-159.29 |
6.6 |
-7.98 |
-1.02 |
0 |
|
|
16858 |
477786 |
1 |
N2S2O7C32H40 |
A2B2C7D32E40 |
-252.86 |
10.73 |
-7.62 |
-0.2 |
0 |
|
|
16859 |
477807 |
1 |
ClSN2O4C15H15 |
ABC2D4E15F15 |
-115.62 |
5.48 |
-9.04 |
-0.85 |
0 |
|
|
16860 |
477816 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-40.83 |
3.93 |
-8.83 |
-0.57 |
0 |
|
|
16861 |
477835 |
1 |
N5O6S6C14H17 |
A5B6C6D14E17 |
-119.9 |
2.64 |
-8.98 |
-2.15 |
0 |
|
|
16862 |
477839 |
1 |
N4O10C43H52 |
A4B10C43D52 |
-417.39 |
17.3 |
-8.81 |
-1.78 |
0 |
|
|
16863 |
477878 |
1 |
OSN3C15H17 |
ABC3D15E17 |
11.59 |
4.41 |
-9.19 |
-1.17 |
0 |
|
|
16864 |
477959 |
1 |
SN2O2C12H12 |
AB2C2D12E12 |
-5.66 |
2.62 |
-8.37 |
-0.49 |
0 |
|
|
16865 |
477966 |
1 |
OSN4H12C13 |
ABC4D12E13 |
29.97 |
6.71 |
-9.25 |
-1.14 |
0 |
|
|
16866 |
478047 |
1 |
ON4C25H30 |
AB4C25D30 |
34.65 |
2.23 |
-8.31 |
-0.58 |
0 |
|
|
16867 |
478048 |
2 |
N2C13H16 |
A2B13C16 |
64.14 |
3.62 |
-8.64 |
-0.57 |
0 |
|
|
16868 |
478053 |
1 |
O3C29H30 |
A3B29C30 |
154.71 |
4.36 |
-9.04 |
-0.15 |
0 |
|
|
16869 |
478054 |
2 |
O2N3C11H14 |
A2B3C11D14 |
-134.1 |
4.47 |
-8.37 |
-0.3 |
0 |
|
|
16870 |
478056 |
1 |
BrOSN4C10H11 |
ABCD4E10F11 |
17.62 |
3.32 |
-8.61 |
-0.79 |
0 |
|
|
16871 |
478077 |
1 |
SN2O2C15H18 |
AB2C2D15E18 |
-52.11 |
6.43 |
-9.23 |
-0.88 |
0 |
|
|
16872 |
478081 |
1 |
SN2O2C15H18 |
AB2C2D15E18 |
-63.32 |
3.32 |
-9.03 |
-0.51 |
0 |
|
|
16873 |
478091 |
1 |
ClOSN3C14H16 |
ABCD3E14F16 |
-9.34 |
2.71 |
-8.94 |
-0.65 |
0 |
|
|
16874 |
478108 |
1 |
OSN3C16H21 |
ABC3D16E21 |
-17.02 |
2.23 |
-8.86 |
-0.28 |
0 |
|
|
16875 |
478113 |
1 |
ClSO2N3H8C10 |
ABC2D3E8F10 |
-12.67 |
5.05 |
-9.92 |
-1.01 |
0 |
|
|
16878 |
478233 |
1 |
O2N4F12H12C19 |
A2B4C12D12E19 |
-657.26 |
7.72 |
-9.83 |
-1.55 |
0 |
|
|
16879 |
478262 |
2 |
ON2C12H14 |
AB2C12D14 |
-36.75 |
1.44 |
-8.7 |
-0.56 |
0 |
|
|
16880 |
478344 |
1 |
N2O6C21H22 |
A2B6C21D22 |
-93.69 |
9.92 |
-9.52 |
-1.31 |
0 |
|
|
16881 |
478404 |
1 |
ClSN2O2C26H37 |
ABC2D2E26F37 |
-76.08 |
6.05 |
-8.17 |
-0.65 |
0 |
|
|
16882 |
478427 |
1 |
SN3O4C31H39 |
AB3C4D31E39 |
-102.95 |
5.24 |
-8.59 |
-0.48 |
0 |
|
|
16883 |
478431 |
1 |
SN3O4C27H39 |
AB3C4D27E39 |
-142.63 |
7.58 |
-8.86 |
-0.62 |
0 |
|
|
16884 |
478446 |
1 |
SO3N4C34H46 |
AB3C4D34E46 |
-76.25 |
8.82 |
-8.39 |
-0.55 |
0 |
|
|
16885 |
478469 |
1 |
ClSO2N3C27H32 |
ABC2D3E27F32 |
-13.31 |
9.04 |
-7.7 |
-0.87 |
0 |
|
|
16886 |
478472 |
1 |
ClSN2O2C26H31 |
ABC2D2E26F31 |
-31.59 |
3.72 |
-9.07 |
-0.57 |
0 |
|
|
16887 |
478498 |
1 |
N2S2Cl3O3C29H31 |
A2B2C3D3E29F31 |
-63.86 |
9.83 |
-8.14 |
-1.26 |
0 |
|
|
16888 |
478553 |
1 |
NC17H19 |
AB17C19 |
51.35 |
1.82 |
-8.18 |
0.12 |
0 |
|
|
16889 |
478621 |
1 |
O2N3C15H19 |
A2B3C15D19 |
-55.8 |
3.29 |
-9.46 |
-0.48 |
0 |
|
|
16890 |
478627 |
1 |
NO5C25H27 |
AB5C25D27 |
-153.45 |
4.94 |
-9.41 |
0.0 |
0 |
|
|
16891 |
478685 |
1 |
O2F3N3H14C22 |
A2B3C3D14E22 |
-145.6 |
2.77 |
-9.55 |
-1.57 |
0 |
|
|
16892 |
478686 |
1 |
O2N3H17C22 |
A2B3C17D22 |
4.59 |
5.97 |
-9.26 |
-1.02 |
0 |
|
|
16893 |
478699 |
1 |
N3O3H15C17 |
A3B3C15D17 |
-27.67 |
7.0 |
-9.18 |
-1.22 |
0 |
|
|
16894 |
478728 |
1 |
NO6C20H25 |
AB6C20D25 |
-262.25 |
3.4 |
-9.01 |
-0.79 |
0 |
|
|
16895 |
478752 |
1 |
SN10O10C39H48 |
AB10C10D39E48 |
-312.67 |
7.46 |
-9.57 |
-1.42 |
0 |
|
|
16896 |
478805 |
1 |
NO2H13C14 |
AB2C13D14 |
-46.43 |
4.65 |
-8.41 |
-0.64 |
0 |
|
|
16897 |
478837 |
1 |
O3C14H20 |
A3B14C20 |
-117.15 |
3.4 |
-9.37 |
0.51 |
0 |
|
|
16898 |
478901 |
1 |
BrOH13C19 |
ABC13D19 |
43.3 |
2.94 |
-9.51 |
-0.95 |
0 |