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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
449687 |
135300657 |
1 |
N6O7C28H40 |
A6B7C28D40 |
-295.76 |
3.78 |
-8.35 |
-1.68 |
0 |
|
|
449688 |
135300659 |
1 |
SN4O6C24H32 |
AB4C6D24E32 |
-238.59 |
6.27 |
-8.44 |
-1.68 |
0 |
|
|
449689 |
135300660 |
1 |
N8O8C31H46 |
A8B8C31D46 |
-342.16 |
8.05 |
-8.41 |
-1.68 |
0 |
|
|
449690 |
135300663 |
1 |
NO3C12H17 |
AB3C12D17 |
-111.28 |
4.06 |
-8.77 |
0.15 |
0 |
|
|
449691 |
135300675 |
1 |
NO7H15C17 |
AB7C15D17 |
-167.34 |
7.74 |
-9.71 |
-1.45 |
0 |
|
|
449692 |
135300678 |
2 |
NO2C9H10 |
AB2C9D10 |
-140.14 |
3.49 |
-8.7 |
-0.34 |
0 |
|
|
449693 |
135300682 |
1 |
F2O4C11H16 |
A2B4C11D16 |
-276.27 |
1.72 |
-11.14 |
0.02 |
0 |
|
|
449694 |
135300683 |
2 |
FO2C5H5 |
AB2C5D5 |
-217.04 |
5.04 |
-10.88 |
-1.45 |
0 |
|
|
449695 |
135300691 |
1 |
N2O3C16H28 |
A2B3C16D28 |
-156.27 |
1.8 |
-9.2 |
0.16 |
0 |
|
|
449696 |
135300698 |
1 |
NO2C12H23 |
AB2C12D23 |
-83.38 |
1.93 |
-8.9 |
1.23 |
0 |
|
|
449697 |
135300743 |
1 |
OH22C36 |
AB22C36 |
112.46 |
1.16 |
-8.56 |
-0.49 |
0 |
|
|
449698 |
135300744 |
1 |
OSN8H20C26 |
ABC8D20E26 |
192.72 |
8.55 |
-8.46 |
-2.3 |
0 |
|
|
449699 |
135300745 |
1 |
OH46C51 |
AB46C51 |
136.61 |
1.42 |
-8.71 |
-0.33 |
0 |
|
|
449700 |
135300747 |
1 |
NOH71C91 |
ABC71D91 |
475.35 |
2.23 |
-7.86 |
-0.49 |
0 |
|
|
449701 |
135300755 |
1 |
NO2H49C75 |
AB2C49D75 |
372.57 |
13.42 |
-7.07 |
-2.79 |
0 |
|
|
449702 |
135300762 |
1 |
NO2C9H17 |
AB2C9D17 |
-108.01 |
2.04 |
-9.53 |
0.84 |
0 |
|
|
449703 |
135300778 |
1 |
OSN2C10H16 |
ABC2D10E16 |
10.58 |
4.4 |
-8.96 |
-0.36 |
0 |
|
|
449704 |
135300786 |
2 |
NO2C11H14 |
AB2C11D14 |
-87.64 |
1.7 |
-8.87 |
-0.11 |
0 |
|
|
449705 |
135300794 |
2 |
NO5C18H20 |
AB5C18D20 |
-366.43 |
6.51 |
-8.21 |
-1.22 |
0 |
|
|
449706 |
135300804 |
1 |
ON2C15H16 |
AB2C15D16 |
36.13 |
13.8 |
-7.69 |
-1.17 |
0 |
|
|
449708 |
135300834 |
1 |
NH41C64 |
AB41C64 |
291.15 |
1.05 |
-8.04 |
-1.01 |
0 |
|
|
449709 |
135300850 |
1 |
NH57C68 |
AB57C68 |
296.43 |
20.3 |
-6.18 |
-3.21 |
0 |
|
|
449710 |
135300856 |
1 |
NH23C30 |
AB23C30 |
110.31 |
1.35 |
-8.01 |
-0.56 |
0 |
|
|
449711 |
135300867 |
1 |
ON3H49C69 |
AB3C49D69 |
337.19 |
2.31 |
-8.74 |
-1.2 |
0 |
|
|
449712 |
135300872 |
1 |
N3O11C43H53 |
A3B11C43D53 |
-403.43 |
4.25 |
-7.96 |
-1.1 |
0 |
|
|
449713 |
135300877 |
1 |
ON3H23C30 |
AB3C23D30 |
131.19 |
1.13 |
-8.98 |
-0.98 |
0 |
|
|
449714 |
135300881 |
1 |
N3H17C19 |
A3B17C19 |
137.72 |
2.89 |
-8.36 |
-0.96 |
0 |
|
|
449715 |
135300882 |
1 |
N3H17C19 |
A3B17C19 |
100.9 |
3.17 |
-8.17 |
-0.75 |
0 |
|
|
449716 |
135300888 |
1 |
SN3C6H9 |
AB3C6D9 |
78.05 |
4.4 |
-9.34 |
-1.59 |
0 |
|
|
449717 |
135300890 |
1 |
NOH67C82 |
ABC67D82 |
359.34 |
2.82 |
-5.74 |
-2.08 |
0 |
|
|
449718 |
135300895 |
1 |
N3C13H13 |
A3B13C13 |
58.52 |
3.03 |
-8.06 |
0.22 |
0 |
|
|
449719 |
135300897 |
3 |
NH19C24 |
AB19C24 |
472.41 |
1.37 |
-8.29 |
-1.06 |
0 |
|
|
449720 |
135300921 |
1 |
NOH61C80 |
ABC61D80 |
263.95 |
1.79 |
-7.86 |
-0.62 |
0 |
|
|
449721 |
135300942 |
1 |
NOC21H25 |
ABC21D25 |
21.18 |
1.89 |
-9.03 |
-0.05 |
0 |
|
|
449722 |
135300947 |
1 |
ON8C26H36 |
AB8C26D36 |
35.35 |
8.08 |
-7.95 |
-0.66 |
0 |
|
|
449723 |
135300953 |
1 |
I2N3O9C20H27 |
A2B3C9D20E27 |
-360.41 |
4.33 |
-9.76 |
-1.84 |
0 |
|
|
449724 |
135300957 |
1 |
ON8C27H38 |
AB8C27D38 |
55.09 |
5.41 |
-8.12 |
-0.65 |
0 |
|
|
449725 |
135300974 |
1 |
N4O5H36C37 |
A4B5C36D37 |
-66.29 |
6.46 |
-8.27 |
-0.53 |
0 |
|
|
449726 |
135300983 |
2 |
ON2C6H12 |
AB2C6D12 |
-80.61 |
5.12 |
-8.54 |
0.57 |
0 |
|
|
449727 |
135301001 |
1 |
ON2C7H16 |
AB2C7D16 |
-30.66 |
1.6 |
-8.6 |
1.24 |
0 |
|
|
449728 |
135301004 |
1 |
SF2N2O3C17H24 |
AB2C2D3E17F24 |
-252.32 |
4.45 |
-8.67 |
-0.39 |
0 |
|
|
449729 |
135301006 |
1 |
SN2F3O4C16H23 |
AB2C3D4E16F23 |
-357.71 |
5.31 |
-8.78 |
-0.49 |
0 |
|
|
449730 |
135301008 |
1 |
ClC17H17 |
AB17C17 |
11.97 |
1.94 |
-9.08 |
0.1 |
0 |
|
|
449731 |
135301009 |
1 |
SF3O3C9H17 |
AB3C3D9E17 |
-323.76 |
3.73 |
-10.59 |
0.9 |
0 |
|
|
449732 |
135301014 |
1 |
FOCl2N5C31H32 |
ABC2D5E31F32 |
143.31 |
2.12 |
-8.44 |
-0.94 |
0 |
|
|
449733 |
135301038 |
2 |
ClON2C20H25 |
ABC2D20E25 |
-30.95 |
3.52 |
-8.31 |
-0.93 |
0 |
|
|
449734 |
135301040 |
1 |
SN2O4C20H32 |
AB2C4D20E32 |
-220.08 |
8.14 |
-8.54 |
-0.44 |
0 |
|
|
449735 |
135301058 |
1 |
N3O5C22H23 |
A3B5C22D23 |
-110.89 |
2.89 |
-8.43 |
-0.99 |
0 |
|
|
449736 |
135301061 |
1 |
SF3C8H9 |
AB3C8D9 |
-106.61 |
2.55 |
-9.47 |
-1.02 |
0 |
|
|
449737 |
135301062 |
1 |
FN2O3C21H21 |
AB2C3D21E21 |
-87.74 |
3.81 |
-8.92 |
-0.22 |
0 |
|
|
449738 |
135301066 |
1 |
FICl2P2N3O4C19H21 |
ABC2D2E3F4G19H21 |
-243.32 |
2.52 |
-8.72 |
-1.26 |
0 |
|
|
449739 |
135301067 |
1 |
NO3C13H17 |
AB3C13D17 |
-80.3 |
2.38 |
-9.91 |
-0.92 |
0 |
|
|
449740 |
135301069 |
1 |
N2O3C20H28 |
A2B3C20D28 |
-69.73 |
6.33 |
-8.59 |
-0.5 |
0 |
|
|
449741 |
135301075 |
1 |
ClOC31H35 |
ABC31D35 |
10.06 |
2.36 |
-8.86 |
-0.07 |
0 |
|
|
449742 |
135301086 |
2 |
O3N4C24H35 |
A3B4C24D35 |
-258.28 |
3.85 |
-8.74 |
-0.84 |
0 |
|
|
449743 |
135301108 |
1 |
Cl2O3N4C28H30 |
A2B3C4D28E30 |
-34.28 |
6.69 |
-8.42 |
-0.61 |
0 |
|
|
449744 |
135301111 |
1 |
SO2F3N7H18C30 |
AB2C3D7E18F30 |
47.22 |
11.41 |
-9.8 |
-1.86 |
0 |
|
|
449745 |
135301112 |
1 |
NO6C20H25 |
AB6C20D25 |
-169.67 |
3.78 |
-9.32 |
-0.77 |
0 |
|
|
449746 |
135301113 |
1 |
O3C13H16 |
A3B13C16 |
-93.07 |
3.05 |
-9.03 |
-0.58 |
0 |
|
|
449747 |
135301116 |
2 |
O2C7H7 |
A2B7C7 |
-62.44 |
1.87 |
-8.57 |
-0.74 |
0 |
|
|
449748 |
135301133 |
2 |
N3O4C26H35 |
A3B4C26D35 |
-329.36 |
2.99 |
-8.85 |
-0.73 |
0 |
|
|
449749 |
135301138 |
1 |
OSF3N7H16C18 |
ABC3D7E16F18 |
-44.19 |
5.33 |
-8.56 |
-1.84 |
0 |
|
|
449750 |
135301140 |
1 |
FO3C14H21 |
AB3C14D21 |
-186.25 |
3.44 |
-9.61 |
0.09 |
0 |
|
|
449751 |
135301145 |
1 |
SN4C11H14 |
AB4C11D14 |
81.56 |
3.6 |
-8.72 |
-0.27 |
0 |
|
|
449752 |
135301155 |
1 |
O6N8C41H48 |
A6B8C41D48 |
-139.94 |
3.02 |
-8.71 |
-0.42 |
0 |
|
|
449753 |
135301156 |
2 |
O3N5C24H32 |
A3B5C24D32 |
-162.52 |
11.95 |
-8.52 |
-0.9 |
0 |
|
|
449754 |
135301197 |
1 |
SO2F3N6H19C26 |
AB2C3D6E19F26 |
-16.91 |
8.44 |
-9.7 |
-1.67 |
0 |
|
|
449755 |
135301207 |
1 |
NS2O4H11C12 |
AB2C4D11E12 |
-100.11 |
7.25 |
-9.26 |
-0.95 |
0 |
|
|
449756 |
135301212 |
1 |
N7O11C48H61 |
A7B11C48D61 |
-271.73 |
10.13 |
-8.17 |
-0.74 |
0 |
|
|
449757 |
135301219 |
2 |
O3N5C22H30 |
A3B5C22D30 |
-157.25 |
10.19 |
-8.6 |
-1.29 |
0 |
|
|
449758 |
135301226 |
1 |
O5N6C44H62 |
A5B6C44D62 |
-224.9 |
8.74 |
-8.48 |
-0.44 |
0 |
|
|
449759 |
135301230 |
1 |
BrSF3N4H14C16 |
ABC3D4E14F16 |
-82.51 |
7.86 |
-8.74 |
-1.53 |
0 |
|
|
449760 |
135301240 |
1 |
NO2C10H19 |
AB2C10D19 |
-56.12 |
3.97 |
-8.78 |
0.33 |
0 |
|
|
449761 |
135301242 |
1 |
NO3C20H31 |
AB3C20D31 |
-110.11 |
4.2 |
-8.94 |
0.01 |
0 |
|
|
449762 |
135301243 |
1 |
FNO3H16C19 |
ABC3D16E19 |
-38.15 |
2.44 |
-8.6 |
-0.8 |
0 |
|
|
449763 |
135301244 |
2 |
NOC5H9 |
ABC5D9 |
-70.24 |
4.8 |
-8.75 |
-0.03 |
0 |
|
|
449764 |
135301254 |
1 |
NO5C22H29 |
AB5C22D29 |
-193.65 |
3.32 |
-8.99 |
-0.07 |
0 |
|
|
449765 |
135301275 |
1 |
N6O7C42H60 |
A6B7C42D60 |
-307.29 |
5.43 |
-8.98 |
0.26 |
0 |
|
|
449766 |
135301279 |
1 |
O2F3N6H19C31 |
A2B3C6D19E31 |
47.25 |
8.13 |
-9.11 |
-1.5 |
0 |
|
|
449767 |
135301280 |
2 |
O3N5C23H34 |
A3B5C23D34 |
-229.74 |
8.55 |
-8.97 |
-1.48 |
0 |
|
|
449768 |
135301284 |
1 |
NSO7C20H31 |
ABC7D20E31 |
-318.46 |
6.41 |
-9.08 |
-0.55 |
0 |
|
|
449769 |
135301286 |
1 |
N3O6C32H57 |
A3B6C32D57 |
-330.55 |
3.05 |
-8.78 |
0.71 |
0 |
|
|
449770 |
135301295 |
2 |
NO4C12H18 |
AB4C12D18 |
-345.78 |
5.32 |
-8.8 |
-0.95 |
0 |
|
|
449771 |
135301299 |
1 |
N8C23H26 |
A8B23C26 |
119.41 |
3.42 |
-8.66 |
-0.91 |
0 |
|
|
449772 |
135301310 |
1 |
NO3C13H23 |
AB3C13D23 |
-137.67 |
3.97 |
-9.61 |
0.31 |
0 |
|
|
449773 |
135301325 |
2 |
FO3N4C25H34 |
AB3C4D25E34 |
-342.85 |
1.41 |
-8.86 |
-0.63 |
0 |
|
|
449774 |
135301326 |
1 |
O2F4N5H15C24 |
A2B4C5D15E24 |
-73.51 |
9.92 |
-10.22 |
-1.56 |
0 |
|
|
449775 |
135301329 |
1 |
OF2H10C11 |
AB2C10D11 |
-87.15 |
2.94 |
-9.6 |
-0.73 |
0 |
|
|
449776 |
135301331 |
4 |
NC6H9 |
AB6C9 |
53.84 |
2.06 |
-8.19 |
0.12 |
0 |
|
|
449777 |
135301342 |
1 |
N3O8C21H35 |
A3B8C21D35 |
-377.58 |
2.84 |
-9.78 |
-0.79 |
1 |
|
|
449778 |
135301379 |
1 |
N4O4C15H27 |
A4B4C15D27 |
-152.41 |
1.88 |
0.0 |
0.0 |
0 |
|
|
449779 |
135301383 |
1 |
N3O4C11H19 |
A3B4C11D19 |
-160.37 |
7.34 |
-9.73 |
-0.33 |
0 |
|
|
449780 |
135301396 |
1 |
OC11H18 |
AB11C18 |
-49.26 |
2.43 |
-9.25 |
0.59 |
0 |
|
|
449781 |
135301401 |
1 |
PN2O4C23H27 |
AB2C4D23E27 |
-77.95 |
7.39 |
-7.75 |
-1.1 |
0 |
|
|
449782 |
135301402 |
1 |
N2C17H24 |
A2B17C24 |
40.85 |
2.14 |
-7.99 |
0.53 |
0 |
|
|
449783 |
135301433 |
1 |
N2O2H16C17 |
A2B2C16D17 |
-7.93 |
2.87 |
-8.55 |
-0.44 |
0 |
|
|
449784 |
135301440 |
1 |
ClO2N7C26H32 |
AB2C7D26E32 |
1.84 |
4.47 |
-8.9 |
-0.33 |
0 |
|
|
449786 |
135301460 |
1 |
NO2C24H25 |
AB2C24D25 |
-53.11 |
4.4 |
-9.05 |
-0.74 |
0 |
|
|
449787 |
135301467 |
1 |
NH21C28 |
AB21C28 |
186.43 |
4.27 |
-7.54 |
-1.13 |
0 |
|
|
449788 |
135301487 |
1 |
N2H8C15 |
A2B8C15 |
270.04 |
2.68 |
-8.4 |
-1.71 |
0 |