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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
57831 |
24277611 |
1 |
NOC16H23 |
ABC16D23 |
-55.65 |
2.13 |
-8.44 |
0.39 |
0 |
|
|
57832 |
24277612 |
1 |
NOC16H23 |
ABC16D23 |
-59.26 |
2.11 |
-8.26 |
0.47 |
0 |
|
|
57833 |
24277635 |
1 |
FO2N4H7C12 |
AB2C4D7E12 |
1.76 |
2.92 |
-9.88 |
-2.01 |
0 |
|
|
57834 |
24277636 |
1 |
FO2N4H7C12 |
AB2C4D7E12 |
0.21 |
0.66 |
-9.74 |
-2.16 |
0 |
|
|
57835 |
24277637 |
1 |
ClO2N4H7C12 |
AB2C4D7E12 |
38.38 |
0.64 |
-9.65 |
-2.18 |
0 |
|
|
57836 |
24277638 |
2 |
ClON2H3C6 |
ABC2D3E6 |
31.2 |
1.11 |
-9.86 |
-2.13 |
0 |
|
|
57837 |
24277639 |
1 |
O3N4H10C13 |
A3B4C10D13 |
5.9 |
3.84 |
-9.11 |
-1.96 |
0 |
|
|
57838 |
24277660 |
1 |
SN2O2C14H16 |
AB2C2D14E16 |
-47.62 |
1.97 |
-8.17 |
-0.46 |
0 |
|
|
57839 |
24277663 |
1 |
SN2O3C14H14 |
AB2C3D14E14 |
-65.04 |
2.02 |
-8.28 |
-0.59 |
0 |
|
|
57840 |
24277669 |
1 |
OSN2C15H16 |
ABC2D15E16 |
-4.64 |
2.75 |
-8.24 |
-0.6 |
0 |
|
|
57841 |
24277675 |
1 |
ClOSN2H13C14 |
ABCD2E13F14 |
-5.37 |
4.64 |
-8.5 |
-0.85 |
0 |
|
|
57842 |
24277688 |
1 |
OSN2C15H16 |
ABC2D15E16 |
-2.17 |
3.24 |
-8.34 |
-0.59 |
0 |
|
|
57843 |
24277696 |
1 |
ClOSN2C15H15 |
ABCD2E15F15 |
-11.61 |
4.96 |
-8.47 |
-0.81 |
0 |
|
|
57844 |
24277702 |
1 |
SN2O2C17H20 |
AB2C2D17E20 |
-51.66 |
1.84 |
-8.2 |
-0.48 |
0 |
|
|
57845 |
24277714 |
1 |
NO4H13C16 |
AB4C13D16 |
-115.78 |
6.38 |
-9.13 |
-0.96 |
0 |
|
|
57846 |
24277729 |
1 |
O3N4H8C11 |
A3B4C8D11 |
-10.42 |
10.2 |
-9.7 |
-1.96 |
0 |
|
|
57847 |
24277731 |
1 |
FO3N4H5C10 |
AB3C4D5E10 |
-45.51 |
8.24 |
-10.02 |
-2.17 |
0 |
|
|
57848 |
24277763 |
1 |
ClO3N4H15C23 |
AB3C4D15E23 |
58.6 |
4.39 |
-9.37 |
-1.96 |
0 |
|
|
57849 |
24277766 |
1 |
O3N4H16C19 |
A3B4C16D19 |
28.71 |
5.01 |
-9.37 |
-1.79 |
0 |
|
|
57850 |
24277779 |
1 |
ClN4O4H15C23 |
AB4C4D15E23 |
29.3 |
5.35 |
-9.48 |
-1.94 |
0 |
|
|
57851 |
24277785 |
1 |
N4O5H14C21 |
A4B5C14D21 |
9.23 |
5.45 |
-9.33 |
-1.75 |
0 |
|
|
57852 |
24277802 |
1 |
BrNOH10C11 |
ABCD10E11 |
17.27 |
2.75 |
-8.94 |
-0.74 |
0 |
|
|
57853 |
24277812 |
1 |
SN3O4H13C16 |
AB3C4D13E16 |
-55.02 |
5.81 |
-10.14 |
-1.63 |
0 |
|
|
57854 |
24277831 |
1 |
O2N3H13C16 |
A2B3C13D16 |
18.26 |
7.83 |
-9.6 |
-1.15 |
0 |
|
|
57855 |
24277858 |
1 |
O2N3C16H19 |
A2B3C16D19 |
-27.51 |
8.59 |
-9.93 |
-0.82 |
0 |
|
|
57856 |
24277864 |
1 |
SO2N3H11C14 |
AB2C3D11E14 |
23.64 |
8.2 |
-9.52 |
-1.42 |
0 |
|
|
57857 |
24277865 |
1 |
O2N4H12C15 |
A2B4C12D15 |
30.3 |
7.81 |
-9.93 |
-1.44 |
0 |
|
|
57858 |
24277867 |
1 |
SO2N3H15C17 |
AB2C3D15E17 |
16.4 |
6.73 |
-8.92 |
-0.88 |
0 |
|
|
57859 |
24277882 |
1 |
SN3O4H19C23 |
AB3C4D19E23 |
-32.45 |
7.33 |
-9.99 |
-1.46 |
0 |
|
|
57860 |
24277892 |
1 |
O2N3H17C18 |
A2B3C17D18 |
4.45 |
7.92 |
-9.61 |
-1.12 |
0 |
|
|
57861 |
24277897 |
2 |
ON2H7C8 |
AB2C7D8 |
26.22 |
7.76 |
-9.96 |
-1.46 |
0 |
|
|
57862 |
24277899 |
1 |
SO2N3H17C18 |
AB2C3D17E18 |
14.24 |
8.28 |
-8.99 |
-1.1 |
0 |
|
|
57863 |
24277915 |
1 |
BrSN3O5H16C22 |
ABC3D5E16F22 |
-58.71 |
7.08 |
-9.67 |
-1.53 |
0 |
|
|
57864 |
24277923 |
1 |
N3O3H13C16 |
A3B3C13D16 |
-12.16 |
8.63 |
-9.39 |
-1.12 |
0 |
|
|
57865 |
24277968 |
1 |
N4O4C15H18 |
A4B4C15D18 |
-104.35 |
9.76 |
-9.39 |
-0.89 |
0 |
|
|
57866 |
24277975 |
1 |
ClFSO2N4H14C20 |
ABCD2E4F14G20 |
-1.06 |
7.57 |
-9.02 |
-1.03 |
0 |
|
|
57867 |
24278042 |
1 |
SBr2N3O4H13C21 |
AB2C3D4E13F21 |
-14.48 |
3.63 |
-10.02 |
-1.8 |
0 |
|
|
57868 |
24278051 |
1 |
BrO2N3H10C12 |
AB2C3D10E12 |
20.14 |
5.53 |
-10.11 |
-1.37 |
0 |
|
|
57869 |
24278075 |
1 |
ClSN3O4H16C22 |
ABC3D4E16F22 |
-39.27 |
2.74 |
-9.76 |
-1.6 |
0 |
|
|
57870 |
24278076 |
1 |
SCl2N3O4H13C21 |
AB2C3D4E13F21 |
-37.7 |
4.49 |
-9.9 |
-1.76 |
0 |
|
|
57871 |
24278079 |
1 |
BrClSN3O4H13C21 |
ABCD3E4F13G21 |
-25.03 |
3.91 |
-9.91 |
-1.67 |
0 |
|
|
57872 |
24278083 |
1 |
ClO2N3H10C11 |
AB2C3D10E11 |
-18.38 |
5.64 |
-10.06 |
-1.41 |
0 |
|
|
57873 |
24278105 |
1 |
BrSO2N4H17C21 |
ABC2D4E17F21 |
53.88 |
12.45 |
-8.95 |
-0.7 |
0 |
|
|
57874 |
24278119 |
1 |
BrO2N3C12H12 |
AB2C3D12E12 |
-12.36 |
6.37 |
-10.23 |
-1.31 |
0 |
|
|
57875 |
24278125 |
1 |
BrN3O3H8C13 |
AB3C3D8E13 |
3.42 |
6.04 |
-9.78 |
-1.64 |
0 |
|
|
57876 |
24278148 |
1 |
BrClSN3O4H13C21 |
ABCD3E4F13G21 |
-21.19 |
7.08 |
-9.8 |
-1.54 |
0 |
|
|
57877 |
24278153 |
1 |
ClO2N3C12H12 |
AB2C3D12E12 |
-22.25 |
7.69 |
-10.14 |
-1.17 |
0 |
|
|
57878 |
24278154 |
1 |
ClO2N3C12H12 |
AB2C3D12E12 |
-21.49 |
7.72 |
-10.06 |
-1.2 |
0 |
|
|
57879 |
24278165 |
1 |
ClSO2N3H12C16 |
ABC2D3E12F16 |
19.24 |
6.37 |
-9.01 |
-1.17 |
0 |
|
|
57880 |
24278181 |
1 |
BrSN3O4H14C21 |
ABC3D4E14F21 |
-25.07 |
5.95 |
-9.62 |
-1.54 |
0 |
|
|
57881 |
24278208 |
1 |
SO2N4H20C22 |
AB2C4D20E22 |
38.93 |
5.88 |
-8.87 |
-0.7 |
0 |
|
|
57882 |
24278223 |
1 |
O2N3C14H17 |
A2B3C14D17 |
-34.9 |
8.68 |
-9.61 |
-0.9 |
0 |
|
|
57883 |
24278226 |
1 |
O2N3H15C17 |
A2B3C15D17 |
9.73 |
8.75 |
-9.6 |
-1.12 |
0 |
|
|
57884 |
24278232 |
2 |
ON2H7C8 |
AB2C7D8 |
21.26 |
8.09 |
-9.78 |
-1.41 |
0 |
|
|
57885 |
24278244 |
1 |
SO2F3N4H17C22 |
AB2C3D4E17F22 |
-115.55 |
9.64 |
-8.95 |
-0.84 |
0 |
|
|
57886 |
24278246 |
1 |
ClSO2F3N4H14C21 |
ABC2D3E4F14G21 |
-112.66 |
10.53 |
-9.1 |
-1.22 |
0 |
|
|
57887 |
24278280 |
1 |
SO2Cl3N4H13C20 |
AB2C3D4E13F20 |
36.82 |
9.03 |
-9.1 |
-1.09 |
0 |
|
|
57888 |
24278287 |
1 |
SCl3N3O4H12C21 |
AB3C3D4E12F21 |
-42.15 |
4.09 |
-9.81 |
-1.66 |
0 |
|
|
57889 |
24278288 |
1 |
FSCl2N3O4H12C21 |
ABC2D3E4F12G21 |
-80.75 |
5.12 |
-9.8 |
-1.61 |
0 |
|
|
57890 |
24278303 |
1 |
Cl2N3O4H11C17 |
A2B3C4D11E17 |
-52.97 |
6.1 |
-9.11 |
-1.67 |
0 |
|
|
57891 |
24278315 |
1 |
FSCl2O2N4H13C20 |
ABC2D2E4F13G20 |
-3.06 |
8.98 |
-9.07 |
-1.05 |
0 |
|
|
57892 |
24278327 |
1 |
Cl2O2N3H11C12 |
A2B2C3D11E12 |
-30.6 |
6.12 |
-10.24 |
-1.46 |
0 |
|
|
57893 |
24278331 |
1 |
Cl2O2N3H9C15 |
A2B2C3D9E15 |
14.85 |
6.37 |
-10.04 |
-1.53 |
0 |
|
|
57894 |
24278334 |
1 |
Cl2N3O3H7C13 |
A2B3C3D7E13 |
-14.66 |
6.13 |
-9.77 |
-1.52 |
0 |
|
|
57895 |
24278339 |
1 |
SCl2O2N3H11C16 |
AB2C2D3E11F16 |
11.06 |
4.91 |
-9.07 |
-1.45 |
0 |
|
|
57896 |
24278342 |
1 |
Cl2O2N3H7C10 |
A2B2C3D7E10 |
-21.16 |
5.03 |
-9.94 |
-1.19 |
0 |
|
|
57897 |
24278343 |
1 |
Cl2O3N4H10C12 |
A2B3C4D10E12 |
-64.86 |
7.83 |
-10.23 |
-1.5 |
0 |
|
|
57898 |
24278350 |
1 |
FSO2N4H21C23 |
ABC2D4E21F23 |
-10.76 |
7.21 |
-8.94 |
-0.84 |
0 |
|
|
57899 |
24278351 |
1 |
ClSO2N4H21C23 |
ABC2D4E21F23 |
27.62 |
7.19 |
-8.95 |
-0.9 |
0 |
|
|
57900 |
24278355 |
1 |
BrSN3O4H20C24 |
ABC3D4E20F24 |
-35.38 |
3.8 |
-9.91 |
-1.66 |
0 |
|
|
57901 |
24278357 |
1 |
BrSN3O4H20C24 |
ABC3D4E20F24 |
-35.52 |
2.46 |
-9.89 |
-1.54 |
0 |
|
|
57902 |
24278365 |
1 |
O2N3C18H23 |
A2B3C18D23 |
-36.9 |
8.72 |
-9.9 |
-0.81 |
0 |
|
|
57903 |
24278391 |
1 |
BrSN3O5H16C22 |
ABC3D5E16F22 |
-52.68 |
11.14 |
-9.33 |
-1.59 |
0 |
|
|
57904 |
24278397 |
1 |
N3O3C13H13 |
A3B3C13D13 |
-24.4 |
8.91 |
-9.62 |
-1.06 |
0 |
|
|
57905 |
24278407 |
1 |
SN3O3H15C17 |
AB3C3D15E17 |
-14.41 |
7.38 |
-8.96 |
-1.14 |
0 |
|
|
57906 |
24278423 |
1 |
SN2O2C11H12 |
AB2C2D11E12 |
-24.63 |
3.44 |
-8.08 |
-1.33 |
0 |
|
|
57907 |
24278431 |
1 |
OSN3C11H19 |
ABC3D11E19 |
-22.15 |
0.63 |
-8.91 |
-0.63 |
0 |
|
|
57908 |
24278442 |
1 |
SF2N2H10C11 |
AB2C2D10E11 |
-42.22 |
2.65 |
-9.38 |
-1.17 |
0 |
|
|
57909 |
24278446 |
1 |
OSN3C9H15 |
ABC3D9E15 |
-15.87 |
1.18 |
-8.8 |
-0.5 |
0 |
|
|
57910 |
24278458 |
1 |
SN2O2H8C9 |
AB2C2D8E9 |
-19.53 |
4.69 |
-8.52 |
-1.46 |
0 |
|
|
57911 |
24278459 |
1 |
SO2N3C10H11 |
AB2C3D10E11 |
-27.27 |
6.46 |
-9.34 |
-1.6 |
0 |
|
|
57912 |
24278461 |
1 |
NSO4H11C12 |
ABC4D11E12 |
-117.28 |
1.99 |
-8.49 |
-1.84 |
0 |
|
|
57913 |
24278493 |
1 |
ON3C15H25 |
AB3C15D25 |
-18.97 |
2.26 |
-8.21 |
0.26 |
0 |
|
|
57914 |
24278497 |
4 |
NC4H6 |
AB4C6 |
44.35 |
2.14 |
-8.25 |
0.21 |
0 |
|
|
57915 |
24278514 |
1 |
N3C13H21 |
A3B13C21 |
16.28 |
3.68 |
-8.9 |
-0.1 |
0 |
|
|
57916 |
24278544 |
1 |
SN2C13H22 |
AB2C13D22 |
14.26 |
2.59 |
-8.52 |
-0.11 |
0 |
|
|
57917 |
24278582 |
1 |
N4C25H30 |
A4B25C30 |
91.83 |
5.17 |
-8.85 |
0.03 |
0 |
|
|
57918 |
24278583 |
1 |
N4C25H30 |
A4B25C30 |
91.83 |
3.11 |
-8.86 |
-0.04 |
0 |
|
|
57919 |
24278585 |
1 |
N2O2C11H18 |
A2B2C11D18 |
-53.31 |
2.65 |
-8.75 |
0.36 |
0 |
|
|
57920 |
24278592 |
1 |
ON3C15H21 |
AB3C15D21 |
-3.37 |
1.96 |
-8.47 |
-0.04 |
0 |
|
|
57921 |
24278609 |
1 |
N3C10H17 |
A3B10C17 |
31.37 |
5.55 |
-8.93 |
-0.06 |
0 |
|
|
57922 |
24278619 |
1 |
N4C21H26 |
A4B21C26 |
70.06 |
0.86 |
-8.15 |
-0.01 |
0 |
|
|
57923 |
24278622 |
2 |
N2C9H12 |
A2B9C12 |
60.76 |
2.44 |
-8.29 |
-0.24 |
0 |
|
|
57924 |
24278623 |
2 |
N2C9H12 |
A2B9C12 |
62.85 |
1.87 |
-8.27 |
-0.26 |
0 |
|
|
57925 |
24278636 |
3 |
NC4H7 |
AB4C7 |
17.86 |
3.67 |
-8.73 |
-0.13 |
0 |
|
|
57926 |
24278639 |
1 |
N2C11H16 |
A2B11C16 |
13.65 |
0.92 |
-8.47 |
0.43 |
0 |
|
|
57927 |
24278642 |
1 |
ON2C11H16 |
AB2C11D16 |
-30.39 |
3.07 |
-8.64 |
0.25 |
0 |
|
|
57928 |
24278643 |
1 |
ON2C11H16 |
AB2C11D16 |
-18.7 |
2.21 |
-8.48 |
0.45 |
0 |
|
|
57929 |
24278645 |
1 |
N2C13H18 |
A2B13C18 |
13.42 |
0.98 |
-8.49 |
0.41 |
0 |
|
|
57930 |
24278651 |
1 |
N3C13H13 |
A3B13C13 |
63.32 |
4.7 |
-8.45 |
0.06 |
0 |