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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
436808 |
135211757 |
1 |
O3N5C36H41 |
A3B5C36D41 |
-52.99 |
4.6 |
-9.03 |
-0.68 |
0 |
|
|
436809 |
135211762 |
1 |
ClO2N6C37H45 |
AB2C6D37E45 |
-23.14 |
8.48 |
-8.46 |
-0.27 |
0 |
|
|
436810 |
135211777 |
1 |
ON3C15H23 |
AB3C15D23 |
-17.58 |
2.62 |
-7.75 |
0.51 |
0 |
|
|
436811 |
135211784 |
1 |
O2N3C19H31 |
A2B3C19D31 |
-80.25 |
0.65 |
-8.04 |
0.37 |
0 |
|
|
436812 |
135211820 |
1 |
O3N6C35H46 |
A3B6C35D46 |
-95.23 |
4.1 |
-8.93 |
-0.48 |
0 |
|
|
436813 |
135211823 |
1 |
ClO2N6C32H33 |
AB2C6D32E33 |
13.36 |
7.19 |
-9.15 |
-0.93 |
0 |
|
|
436814 |
135211827 |
2 |
OC7H15 |
AB7C15 |
-154.91 |
2.38 |
-9.4 |
2.3 |
0 |
|
|
436815 |
135211828 |
1 |
N2O3C19H24 |
A2B3C19D24 |
-131.57 |
6.1 |
-9.15 |
-0.31 |
0 |
|
|
436816 |
135211830 |
1 |
O3N5C34H35 |
A3B5C34D35 |
-19.45 |
1.05 |
-8.91 |
-0.99 |
0 |
|
|
436817 |
135211832 |
1 |
O2N3C11H11 |
A2B3C11D11 |
-8.35 |
2.84 |
-9.15 |
-0.93 |
0 |
|
|
436818 |
135211867 |
1 |
SO5N6C37H50 |
AB5C6D37E50 |
-179.58 |
10.28 |
-8.63 |
-0.21 |
0 |
|
|
436819 |
135211886 |
1 |
O3N7C42H51 |
A3B7C42D51 |
-38.0 |
7.89 |
-8.57 |
-0.92 |
0 |
|
|
436820 |
135211906 |
1 |
ClO2N6C32H41 |
AB2C6D32E41 |
-31.8 |
4.88 |
-8.79 |
-0.56 |
0 |
|
|
436821 |
135211907 |
1 |
O3N6C35H40 |
A3B6C35D40 |
-44.53 |
3.65 |
-8.9 |
-0.79 |
0 |
|
|
436822 |
135211910 |
1 |
F3O3N4C26H27 |
A3B3C4D26E27 |
-237.27 |
3.88 |
-8.67 |
-0.83 |
0 |
|
|
436823 |
135211951 |
1 |
ClO2N3C32H38 |
AB2C3D32E38 |
-57.96 |
5.05 |
-8.73 |
-0.5 |
0 |
|
|
436824 |
135211986 |
1 |
Cl2O3N4C39H50 |
A2B3C4D39E50 |
-112.99 |
5.17 |
-8.76 |
-0.88 |
0 |
|
|
436825 |
135211997 |
1 |
SF3O6C11H17 |
AB3C6D11E17 |
-423.06 |
1.95 |
-9.9 |
-1.5 |
0 |
|
|
436826 |
135212022 |
1 |
O3N6C35H46 |
A3B6C35D46 |
-94.35 |
6.22 |
-8.82 |
-0.42 |
0 |
|
|
436827 |
135212028 |
1 |
O2N7C34H45 |
A2B7C34D45 |
-37.45 |
7.06 |
-8.64 |
-0.4 |
0 |
|
|
436829 |
135212050 |
1 |
O3N6C37H50 |
A3B6C37D50 |
-110.06 |
4.32 |
-8.86 |
-0.48 |
0 |
|
|
436830 |
135212051 |
1 |
O3N5C36H41 |
A3B5C36D41 |
-50.23 |
5.48 |
-9.11 |
-0.74 |
0 |
|
|
436831 |
135212068 |
1 |
ON4C9H12 |
AB4C9D12 |
37.16 |
5.78 |
-8.56 |
-0.68 |
0 |
|
|
436832 |
135212073 |
1 |
FO3N8C21H27 |
AB3C8D21E27 |
17.19 |
6.87 |
-9.58 |
-1.93 |
0 |
|
|
436833 |
135212074 |
1 |
O3N9C19H25 |
A3B9C19D25 |
66.38 |
11.8 |
-9.8 |
-1.72 |
0 |
|
|
436834 |
135212080 |
1 |
ClN3O3C35H44 |
AB3C3D35E44 |
-130.63 |
7.41 |
-8.34 |
-0.3 |
0 |
|
|
436835 |
135212085 |
1 |
O3N6C24H32 |
A3B6C24D32 |
-53.54 |
7.58 |
-8.32 |
-0.41 |
0 |
|
|
436836 |
135212089 |
1 |
N5C22H31 |
A5B22C31 |
61.38 |
3.87 |
-7.96 |
-0.32 |
0 |
|
|
436837 |
135212090 |
1 |
N2O2F6H14C15 |
A2B2C6D14E15 |
-357.0 |
2.11 |
-8.18 |
-0.54 |
0 |
|
|
436838 |
135212093 |
1 |
N4C7H18 |
A4B7C18 |
34.22 |
2.93 |
-8.8 |
0.45 |
0 |
|
|
436839 |
135212099 |
2 |
O2N3C20H27 |
A2B3C20D27 |
-144.82 |
8.42 |
-8.59 |
-0.19 |
0 |
|
|
436841 |
135212171 |
2 |
O3C8H11 |
A3B8C11 |
-262.17 |
2.54 |
-9.92 |
-0.51 |
0 |
|
|
436842 |
135212207 |
1 |
NO2C15H21 |
AB2C15D21 |
-80.62 |
5.82 |
-8.5 |
0.02 |
0 |
|
|
436843 |
135212208 |
1 |
IO2C28H47 |
AB2C28D47 |
-168.06 |
5.97 |
-9.01 |
-0.76 |
0 |
|
|
436847 |
135212232 |
3 |
ON2C8H10 |
AB2C8D10 |
-2.16 |
13.55 |
-9.36 |
-1.1 |
0 |
|
|
436848 |
135212250 |
2 |
NH13C20 |
AB13C20 |
195.43 |
2.68 |
-7.92 |
-0.71 |
0 |
|
|
436849 |
135212259 |
1 |
FON4C9H9 |
ABC4D9E9 |
6.31 |
5.19 |
-8.77 |
-1.2 |
0 |
|
|
436850 |
135212264 |
1 |
ON3H23C39 |
AB3C23D39 |
183.52 |
6.01 |
-8.09 |
-0.94 |
0 |
|
|
436851 |
135212273 |
1 |
ON4H36C54 |
AB4C36D54 |
229.41 |
6.77 |
-8.02 |
-0.89 |
0 |
|
|
436852 |
135212279 |
2 |
NH9C14 |
AB9C14 |
142.58 |
2.48 |
-7.93 |
-0.7 |
0 |
|
|
436853 |
135212285 |
1 |
O3N7C21H27 |
A3B7C21D27 |
-8.27 |
10.0 |
-9.65 |
-1.5 |
0 |
|
|
436854 |
135212295 |
1 |
O3N8C21H28 |
A3B8C21D28 |
4.73 |
14.65 |
-9.06 |
-1.37 |
0 |
|
|
436855 |
135212309 |
1 |
NO2C10H19 |
AB2C10D19 |
-114.42 |
4.0 |
-9.48 |
1.03 |
0 |
|
|
436856 |
135212321 |
1 |
NSF2O5H13C17 |
ABC2D5E13F17 |
-217.17 |
5.81 |
-9.1 |
-0.74 |
0 |
|
|
436857 |
135212322 |
1 |
NO3C14H19 |
AB3C14D19 |
-136.34 |
10.42 |
-9.63 |
-0.47 |
0 |
|
|
436858 |
135212354 |
1 |
N2O5C23H26 |
A2B5C23D26 |
-166.92 |
4.89 |
-9.47 |
-0.97 |
0 |
|
|
436859 |
135212368 |
2 |
N3H13C21 |
A3B13C21 |
267.46 |
4.63 |
-8.21 |
-1.39 |
0 |
|
|
436860 |
135212375 |
2 |
N2H13C21 |
A2B13C21 |
240.24 |
4.2 |
-7.92 |
-1.12 |
0 |
|
|
436861 |
135212386 |
1 |
ON5H27C47 |
AB5C27D47 |
254.39 |
5.45 |
-8.26 |
-1.26 |
0 |
|
|
436862 |
135212396 |
1 |
N3H15C22 |
A3B15C22 |
121.88 |
5.19 |
-8.14 |
-0.83 |
0 |
|
|
436863 |
135212398 |
1 |
NO3C14H21 |
AB3C14D21 |
-136.12 |
8.85 |
-9.9 |
-0.78 |
0 |
|
|
436864 |
135212400 |
1 |
ClN4H29C45 |
AB4C29D45 |
209.54 |
4.76 |
-8.27 |
-0.84 |
0 |
|
|
436865 |
135212407 |
1 |
ClF3O3N6H26C29 |
AB3C3D6E26F29 |
-151.44 |
3.17 |
-9.45 |
-1.17 |
0 |
|
|
436866 |
135212408 |
1 |
O3N6C25H30 |
A3B6C25D30 |
32.0 |
9.91 |
-9.03 |
-0.98 |
0 |
|
|
436867 |
135212424 |
1 |
N4H28C45 |
A4B28C45 |
243.09 |
6.72 |
-8.07 |
-0.74 |
0 |
|
|
436868 |
135212425 |
1 |
N6H34C55 |
A6B34C55 |
314.56 |
5.99 |
-8.13 |
-1.11 |
0 |
|
|
436869 |
135212430 |
1 |
N3H27C46 |
A3B27C46 |
246.63 |
4.62 |
-8.07 |
-0.81 |
0 |
|
|
436870 |
135212431 |
1 |
N3H31C52 |
A3B31C52 |
269.1 |
4.78 |
-8.1 |
-0.85 |
0 |
|
|
436871 |
135212436 |
1 |
ON3H23C39 |
AB3C23D39 |
182.53 |
3.29 |
-8.21 |
-0.89 |
0 |
|
|
436872 |
135212441 |
1 |
ON5H27C47 |
AB5C27D47 |
252.05 |
7.19 |
-8.14 |
-1.24 |
0 |
|
|
436873 |
135212449 |
2 |
NH11C15 |
AB11C15 |
123.35 |
2.92 |
-8.43 |
-0.82 |
0 |
|
|
436874 |
135212463 |
2 |
N3H11C18 |
A3B11C18 |
239.31 |
4.71 |
-8.24 |
-1.3 |
0 |
|
|
436875 |
135212482 |
1 |
O3N8C24H32 |
A3B8C24D32 |
31.9 |
6.34 |
-8.8 |
-2.06 |
0 |
|
|
436876 |
135212525 |
1 |
ClNSO4H14C17 |
ABCD4E14F17 |
-87.56 |
3.59 |
-8.64 |
-0.46 |
0 |
|
|
436877 |
135212530 |
1 |
ON2H18C26 |
AB2C18D26 |
251.33 |
3.22 |
-8.63 |
-1.04 |
0 |
|
|
436878 |
135212539 |
1 |
N3H21C35 |
A3B21C35 |
191.56 |
5.13 |
-8.1 |
-0.93 |
0 |
|
|
436879 |
135212540 |
1 |
N3H19C31 |
A3B19C31 |
177.14 |
4.99 |
-8.1 |
-0.87 |
0 |
|
|
436880 |
135212550 |
1 |
BrN5H22C36 |
AB5C22D36 |
214.39 |
3.77 |
-8.81 |
-1.28 |
0 |
|
|
436881 |
135212561 |
1 |
BrON2H19C33 |
ABC2D19E33 |
130.79 |
5.52 |
-8.78 |
-1.02 |
0 |
|
|
436882 |
135212562 |
2 |
N2H21C30 |
A2B21C30 |
276.42 |
2.72 |
-7.93 |
-0.9 |
0 |
|
|
436883 |
135212564 |
1 |
N4H28C45 |
A4B28C45 |
240.07 |
3.97 |
-8.16 |
-1.02 |
0 |
|
|
436884 |
135212578 |
1 |
N4H28C45 |
A4B28C45 |
238.11 |
1.05 |
-8.05 |
-0.93 |
0 |
|
|
436885 |
135212597 |
1 |
N3H25C36 |
A3B25C36 |
162.46 |
2.55 |
-8.12 |
-0.91 |
0 |
|
|
436886 |
135212609 |
1 |
ON9H43C77 |
AB9C43D77 |
442.42 |
11.83 |
-8.1 |
-1.37 |
0 |
|
|
436887 |
135212611 |
1 |
N5H21C35 |
A5B21C35 |
229.39 |
3.82 |
-8.31 |
-1.36 |
0 |
|
|
436888 |
135212614 |
1 |
N6H38C61 |
A6B38C61 |
426.83 |
3.73 |
-7.92 |
-1.15 |
0 |
|
|
436889 |
135212619 |
1 |
N4H24C39 |
A4B24C39 |
221.37 |
1.6 |
-8.12 |
-1.06 |
0 |
|
|
436890 |
135212635 |
1 |
SN2O2C8H14 |
AB2C2D8E14 |
-69.81 |
4.38 |
-10.2 |
-0.19 |
0 |
|
|
436891 |
135212646 |
1 |
NF3C8H10 |
AB3C8D10 |
-104.99 |
5.06 |
-9.24 |
-0.69 |
0 |
|
|
436892 |
135212653 |
1 |
SN2O3H12C14 |
AB2C3D12E14 |
-19.17 |
2.45 |
-9.35 |
-0.85 |
0 |
|
|
436893 |
135212704 |
1 |
N3H25C36 |
A3B25C36 |
171.82 |
1.0 |
-8.05 |
-0.82 |
0 |
|
|
436894 |
135212705 |
1 |
ON3H27C45 |
AB3C27D45 |
207.35 |
5.85 |
-8.09 |
-0.93 |
0 |
|
|
436895 |
135212723 |
1 |
N4H28C45 |
A4B28C45 |
247.47 |
6.24 |
-8.04 |
-0.77 |
0 |
|
|
436896 |
135212726 |
2 |
NC9H12 |
AB9C12 |
25.24 |
2.23 |
-8.27 |
0.45 |
0 |
|
|
436897 |
135212732 |
1 |
N3O3C29H39 |
A3B3C29D39 |
-113.96 |
3.43 |
-9.04 |
-0.04 |
0 |
|
|
436898 |
135212733 |
1 |
NO3C27H37 |
AB3C27D37 |
-147.53 |
3.54 |
-9.27 |
-0.4 |
0 |
|
|
436899 |
135212754 |
1 |
NSH21C26 |
ABC21D26 |
111.18 |
3.03 |
-7.95 |
-0.56 |
0 |
|
|
436900 |
135212757 |
1 |
SN3O5C32H37 |
AB3C5D32E37 |
-145.81 |
2.54 |
-8.99 |
-1.04 |
0 |
|
|
436901 |
135212758 |
1 |
ON2C21H28 |
AB2C21D28 |
-14.17 |
1.31 |
-7.56 |
-0.35 |
0 |
|
|
436902 |
135212761 |
1 |
O3N4C27H28 |
A3B4C27D28 |
-24.81 |
2.58 |
-9.33 |
-0.97 |
0 |
|
|
436903 |
135212762 |
1 |
N3O3H25C26 |
A3B3C25D26 |
-33.56 |
5.87 |
-9.29 |
-0.84 |
0 |
|
|
436904 |
135212787 |
1 |
SN2O4C30H36 |
AB2C4D30E36 |
-86.25 |
6.39 |
-8.8 |
-0.53 |
0 |
|
|
436905 |
135212792 |
1 |
ClNSO4H14C17 |
ABCD4E14F17 |
-87.51 |
2.5 |
-8.63 |
-0.44 |
0 |
|
|
436906 |
135212798 |
1 |
SN2O3F7H27C29 |
AB2C3D7E27F29 |
-402.35 |
7.17 |
-9.24 |
-1.17 |
0 |
|
|
436907 |
135212813 |
1 |
SN2F3O3C31H35 |
AB2C3D3E31F35 |
-210.38 |
4.3 |
-8.97 |
-1.0 |
0 |
|
|
436908 |
135212832 |
1 |
SN3O3C30H35 |
AB3C3D30E35 |
-15.83 |
7.97 |
-8.56 |
-0.68 |
0 |
|
|
436909 |
135212859 |
1 |
SO3N4C29H40 |
AB3C4D29E40 |
-29.19 |
4.77 |
-8.59 |
0.06 |
0 |
|
|
436910 |
135212864 |
1 |
SN2O3F4C29H30 |
AB2C3D4E29F30 |
-261.23 |
9.02 |
-9.11 |
-0.76 |
0 |
|
|
436911 |
135212884 |
1 |
SN2O3F5C30H31 |
AB2C3D5E30F31 |
-298.06 |
3.22 |
-9.06 |
-1.2 |
0 |
|
|
436912 |
135212895 |
1 |
SO3N4C27H38 |
AB3C4D27E38 |
-76.73 |
3.61 |
-8.96 |
0.1 |
0 |