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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
129807 |
51073912 |
1 |
OSN4C18H22 |
ABC4D18E22 |
32.09 |
2.6 |
-9.01 |
-1.13 |
0 |
|
|
129808 |
51073914 |
1 |
SO2N3C16H17 |
AB2C3D16E17 |
-4.89 |
2.65 |
-9.02 |
-0.48 |
0 |
|
|
129809 |
51073923 |
1 |
N2O3C18H20 |
A2B3C18D20 |
-72.1 |
4.45 |
-8.57 |
0.14 |
0 |
|
|
129810 |
51073926 |
1 |
N2O5C18H18 |
A2B5C18D18 |
-143.74 |
1.27 |
-8.83 |
-0.64 |
0 |
|
|
129811 |
51073935 |
1 |
N3O4C18H23 |
A3B4C18D23 |
-151.09 |
4.58 |
-8.72 |
0.2 |
0 |
|
|
129812 |
51073939 |
1 |
O2N3C12H17 |
A2B3C12D17 |
-39.12 |
2.1 |
-9.09 |
0.44 |
0 |
|
|
129813 |
51073940 |
1 |
SO3N4C14H18 |
AB3C4D14E18 |
-26.86 |
6.19 |
-8.45 |
-1.07 |
0 |
|
|
129814 |
51073941 |
1 |
OSF3N4C13H13 |
ABC3D4E13F13 |
-126.61 |
7.86 |
-9.73 |
-0.89 |
0 |
|
|
129815 |
51073943 |
1 |
FNS2O3C15H16 |
ABC2D3E15F16 |
-145.54 |
6.69 |
-9.01 |
-1.15 |
0 |
|
|
129816 |
51073945 |
1 |
N3O3C15H19 |
A3B3C15D19 |
-99.49 |
4.19 |
-9.2 |
-1.08 |
0 |
|
|
129817 |
51073949 |
1 |
ON3C14H19 |
AB3C14D19 |
-5.24 |
3.89 |
-9.04 |
-0.84 |
0 |
|
|
129818 |
51073953 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-110.04 |
3.94 |
-9.17 |
-0.56 |
0 |
|
|
129819 |
51073954 |
1 |
O2N3C21H23 |
A2B3C21D23 |
-23.1 |
5.13 |
-9.08 |
-0.88 |
0 |
|
|
129820 |
51073958 |
1 |
N3O4C15H17 |
A3B4C15D17 |
-108.17 |
4.13 |
-8.65 |
-1.25 |
0 |
|
|
129821 |
51073964 |
2 |
NOC8H13 |
ABC8D13 |
-91.04 |
2.75 |
-8.71 |
1.02 |
0 |
|
|
129822 |
51073966 |
1 |
OSN4C16H22 |
ABC4D16E22 |
2.48 |
4.23 |
-8.86 |
-1.29 |
0 |
|
|
129823 |
51073967 |
1 |
N2O2C15H24 |
A2B2C15D24 |
-85.57 |
2.14 |
-8.84 |
0.44 |
0 |
|
|
129824 |
51073973 |
1 |
SO2N4C17H20 |
AB2C4D17E20 |
-39.82 |
5.05 |
-9.31 |
-1.33 |
0 |
|
|
129825 |
51073974 |
1 |
SN2O2C11H14 |
AB2C2D11E14 |
-34.79 |
3.32 |
-9.28 |
-0.41 |
0 |
|
|
129826 |
51073975 |
1 |
ClON4H13C14 |
ABC4D13E14 |
25.83 |
4.26 |
-9.12 |
-0.38 |
0 |
|
|
129827 |
51073984 |
1 |
N2O4C17H20 |
A2B4C17D20 |
-113.35 |
6.48 |
-9.78 |
-0.12 |
0 |
|
|
129828 |
51073989 |
1 |
NO2C17H23 |
AB2C17D23 |
-73.26 |
4.41 |
-8.85 |
0.1 |
0 |
|
|
129829 |
51073991 |
1 |
NO3C17H23 |
AB3C17D23 |
-119.63 |
1.21 |
-8.54 |
0.46 |
0 |
|
|
129830 |
51073996 |
1 |
NSO2C15H17 |
ABC2D15E17 |
-42.64 |
3.51 |
-9.19 |
-0.25 |
0 |
|
|
129831 |
51073999 |
1 |
SN3O3H15C16 |
AB3C3D15E16 |
-55.5 |
3.92 |
-8.97 |
-1.2 |
0 |
|
|
129832 |
51074003 |
1 |
N2O2C15H22 |
A2B2C15D22 |
-78.43 |
4.94 |
-9.2 |
0.06 |
0 |
|
|
129833 |
51074005 |
1 |
O2N3C17H21 |
A2B3C17D21 |
-40.34 |
2.54 |
-8.28 |
0.06 |
0 |
|
|
129834 |
51074007 |
1 |
O2N3C18H21 |
A2B3C18D21 |
-42.19 |
4.42 |
-8.73 |
-0.34 |
0 |
|
|
129835 |
51074010 |
1 |
OS2N4C11H16 |
AB2C4D11E16 |
25.3 |
5.53 |
-8.88 |
-1.03 |
0 |
|
|
129836 |
51074011 |
1 |
SO2N4C10H16 |
AB2C4D10E16 |
-28.09 |
4.41 |
-9.44 |
-0.73 |
0 |
|
|
129837 |
51074014 |
1 |
SO3N5C13H15 |
AB3C5D13E15 |
48.3 |
8.02 |
-9.5 |
-1.59 |
0 |
|
|
129838 |
51074016 |
1 |
SN3O4H13C15 |
AB3C4D13E15 |
-61.63 |
9.09 |
-9.73 |
-1.59 |
0 |
|
|
129839 |
51074019 |
1 |
SN3O4H13C14 |
AB3C4D13E14 |
-58.22 |
4.8 |
-9.34 |
-1.13 |
0 |
|
|
129840 |
51074020 |
1 |
N2O3C17H26 |
A2B3C17D26 |
-99.97 |
1.57 |
-8.13 |
0.34 |
0 |
|
|
129841 |
51074021 |
1 |
ON2C13H24 |
AB2C13D24 |
-45.49 |
1.34 |
-8.33 |
1.3 |
0 |
|
|
129842 |
51074025 |
1 |
SO2N5C16H21 |
AB2C5D16E21 |
-29.16 |
4.91 |
-9.0 |
-0.84 |
0 |
|
|
129843 |
51074026 |
2 |
NOC7H7 |
ABC7D7 |
-23.14 |
3.69 |
-9.13 |
-0.52 |
0 |
|
|
129844 |
51074027 |
2 |
NC7H12 |
AB7C12 |
-9.78 |
4.17 |
-8.71 |
1.32 |
0 |
|
|
129845 |
51074028 |
1 |
O2N3C16H23 |
A2B3C16D23 |
-81.89 |
1.45 |
-9.09 |
0.2 |
0 |
|
|
129846 |
51074029 |
1 |
O2N3C20H23 |
A2B3C20D23 |
-37.93 |
1.47 |
-9.24 |
0.09 |
0 |
|
|
129847 |
51074034 |
1 |
FSO2N4C13H15 |
ABC2D4E13F15 |
-36.14 |
7.56 |
-9.18 |
-1.0 |
0 |
|
|
129848 |
51074043 |
2 |
N2C9H9 |
A2B9C9 |
97.21 |
5.05 |
-8.93 |
-0.82 |
0 |
|
|
129849 |
51074045 |
1 |
ON2C15H24 |
AB2C15D24 |
-41.59 |
4.81 |
-8.88 |
-0.09 |
0 |
|
|
129850 |
51074049 |
1 |
ON3C20H33 |
AB3C20D33 |
-52.14 |
2.87 |
-8.72 |
0.45 |
0 |
|
|
129851 |
51074050 |
1 |
O2N3C20H33 |
A2B3C20D33 |
-92.85 |
4.7 |
-8.89 |
0.34 |
0 |
|
|
129852 |
51074053 |
1 |
NO4C16H23 |
AB4C16D23 |
-149.29 |
2.81 |
-8.32 |
-0.02 |
0 |
|
|
129853 |
51074061 |
1 |
N3O3C15H17 |
A3B3C15D17 |
-80.84 |
1.27 |
-9.05 |
-0.66 |
0 |
|
|
129854 |
51074063 |
1 |
N2O3C19H20 |
A2B3C19D20 |
-51.52 |
7.53 |
-9.02 |
-0.85 |
0 |
|
|
129855 |
51074064 |
1 |
O2N6C17H20 |
A2B6C17D20 |
17.92 |
5.11 |
-9.42 |
-0.86 |
0 |
|
|
129856 |
51074065 |
1 |
O2N4C15H18 |
A2B4C15D18 |
-1.69 |
2.33 |
-9.5 |
-0.5 |
0 |
|
|
129857 |
51074068 |
1 |
O2N4C19H20 |
A2B4C19D20 |
34.26 |
5.06 |
-9.05 |
-0.94 |
0 |
|
|
129858 |
51074069 |
1 |
SO2N4C16H16 |
AB2C4D16E16 |
31.86 |
6.91 |
-8.78 |
-0.8 |
0 |
|
|
129859 |
51074070 |
1 |
N3O4C18H23 |
A3B4C18D23 |
-83.17 |
4.23 |
-9.2 |
-1.01 |
0 |
|
|
129860 |
51074071 |
1 |
ON3C20H25 |
AB3C20D25 |
-0.29 |
4.24 |
-8.8 |
-0.09 |
0 |
|
|
129861 |
51074072 |
1 |
O2N4C15H18 |
A2B4C15D18 |
11.08 |
3.74 |
-8.88 |
-0.24 |
0 |
|
|
129862 |
51074073 |
1 |
O2N3C17H31 |
A2B3C17D31 |
-121.79 |
3.02 |
-8.88 |
0.96 |
0 |
|
|
129863 |
51074080 |
1 |
SN3O3C16H17 |
AB3C3D16E17 |
-41.32 |
4.28 |
-9.77 |
-1.12 |
0 |
|
|
129864 |
51074087 |
1 |
N2O4C19H20 |
A2B4C19D20 |
-98.69 |
3.3 |
-9.36 |
-0.36 |
0 |
|
|
129865 |
51074088 |
1 |
SN2O4C16H18 |
AB2C4D16E18 |
-122.42 |
3.16 |
-9.32 |
-0.49 |
0 |
|
|
129866 |
51074091 |
1 |
ON5C19H25 |
AB5C19D25 |
27.69 |
7.6 |
-9.14 |
-0.99 |
0 |
|
|
129867 |
51074094 |
1 |
O2S2N4H14C15 |
A2B2C4D14E15 |
36.97 |
5.81 |
-8.87 |
-1.07 |
0 |
|
|
129868 |
51074096 |
1 |
O2N4C17H22 |
A2B4C17D22 |
-1.76 |
5.32 |
-8.76 |
0.2 |
0 |
|
|
129869 |
51074099 |
1 |
O3N4C15H20 |
A3B4C15D20 |
-34.03 |
5.21 |
-9.3 |
0.06 |
0 |
|
|
129870 |
51074100 |
1 |
O2N5C15H19 |
A2B5C15D19 |
10.42 |
4.97 |
-9.11 |
-0.28 |
0 |
|
|
129871 |
51074101 |
1 |
O2N5C16H21 |
A2B5C16D21 |
7.26 |
5.44 |
-9.24 |
-0.45 |
0 |
|
|
129872 |
51074107 |
3 |
NOC6H7 |
ABC6D7 |
-69.73 |
3.18 |
-8.71 |
-0.29 |
0 |
|
|
129873 |
51074110 |
3 |
NOC6H7 |
ABC6D7 |
-68.22 |
3.33 |
-8.32 |
-0.24 |
0 |
|
|
129874 |
51074112 |
2 |
ON2C9H12 |
AB2C9D12 |
-30.6 |
3.9 |
-8.91 |
-0.23 |
0 |
|
|
129875 |
51074118 |
1 |
ClOSN3C16H16 |
ABCD3E16F16 |
-2.47 |
3.9 |
-8.57 |
-0.46 |
0 |
|
|
129876 |
51074122 |
1 |
SN3O4C16H17 |
AB3C4D16E17 |
-86.87 |
4.47 |
-9.09 |
-1.31 |
0 |
|
|
129877 |
51074123 |
1 |
NO4C17H23 |
AB4C17D23 |
-152.04 |
4.84 |
-8.68 |
0.06 |
0 |
|
|
129878 |
51074127 |
1 |
FO2N4C14H17 |
AB2C4D14E17 |
-63.75 |
4.83 |
-9.65 |
-0.89 |
0 |
|
|
129879 |
51074130 |
1 |
FSN2O2C15H19 |
ABC2D2E15F19 |
-118.65 |
2.44 |
-8.88 |
-0.53 |
0 |
|
|
129880 |
51074131 |
1 |
SO3N4C15H18 |
AB3C4D15E18 |
-61.97 |
6.88 |
-8.85 |
-1.33 |
0 |
|
|
129881 |
51074134 |
1 |
ClO2N3C16H18 |
AB2C3D16E18 |
-46.93 |
4.06 |
-8.98 |
-0.3 |
0 |
|
|
129882 |
51074135 |
2 |
ON2C8H9 |
AB2C8D9 |
-43.65 |
5.81 |
-9.23 |
-0.88 |
0 |
|
|
129883 |
51074143 |
1 |
Cl2N2O2H14C17 |
A2B2C2D14E17 |
-58.07 |
6.57 |
-9.02 |
-0.65 |
0 |
|
|
129884 |
51074158 |
1 |
ON6C14H20 |
AB6C14D20 |
27.78 |
4.56 |
-8.97 |
-1.0 |
0 |
|
|
129885 |
51074159 |
1 |
FNO2C14H14 |
ABC2D14E14 |
-79.33 |
4.79 |
-9.58 |
-0.14 |
0 |
|
|
129886 |
51074160 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-144.39 |
4.32 |
-8.77 |
-0.57 |
0 |
|
|
129887 |
51074164 |
1 |
SO2N4C16H22 |
AB2C4D16E22 |
-24.52 |
2.14 |
-8.52 |
-0.27 |
0 |
|
|
129888 |
51074165 |
1 |
N2O3C18H24 |
A2B3C18D24 |
-88.33 |
2.42 |
-8.91 |
-0.8 |
0 |
|
|
129889 |
51074173 |
1 |
N3O4C17H17 |
A3B4C17D17 |
-62.21 |
6.59 |
-9.36 |
-0.99 |
0 |
|
|
129890 |
51074174 |
1 |
N3O4C17H17 |
A3B4C17D17 |
-64.12 |
4.2 |
-8.64 |
-0.49 |
0 |
|
|
129891 |
51074176 |
1 |
NSO2C14H15 |
ABC2D14E15 |
-12.6 |
3.43 |
-9.14 |
-0.7 |
0 |
|
|
129892 |
51074183 |
1 |
NO2C15H21 |
AB2C15D21 |
-80.02 |
4.97 |
-8.83 |
-0.06 |
0 |
|
|
129893 |
51074185 |
1 |
FOSN3C18H18 |
ABCD3E18F18 |
-22.62 |
1.81 |
-9.06 |
-0.53 |
0 |
|
|
129894 |
51074196 |
1 |
O3N4C16H20 |
A3B4C16D20 |
-44.56 |
2.53 |
-9.28 |
-0.57 |
0 |
|
|
129895 |
51074197 |
1 |
O3N4C15H22 |
A3B4C15D22 |
-74.73 |
3.05 |
-9.18 |
0.27 |
0 |
|
|
129896 |
51074202 |
1 |
N3O3C15H19 |
A3B3C15D19 |
-40.03 |
1.43 |
-8.96 |
-0.29 |
0 |
|
|
129897 |
51074206 |
1 |
SN3O3C17H21 |
AB3C3D17E21 |
-85.94 |
1.98 |
-9.19 |
-0.84 |
0 |
|
|
129898 |
51074223 |
1 |
O2N4C15H26 |
A2B4C15D26 |
-85.94 |
4.42 |
-8.8 |
-0.37 |
0 |
|
|
129899 |
51074224 |
1 |
N3O3H13C18 |
A3B3C13D18 |
2.28 |
1.78 |
-8.93 |
-1.07 |
0 |
|
|
129900 |
51074226 |
1 |
F3O3N5C12H14 |
A3B3C5D12E14 |
-259.83 |
1.13 |
-9.35 |
-0.84 |
0 |
|
|
129901 |
51074227 |
1 |
O2F3N3H12C13 |
A2B3C3D12E13 |
-213.81 |
3.05 |
-9.34 |
-1.07 |
0 |
|
|
129902 |
51074232 |
1 |
NSO2C14H15 |
ABC2D14E15 |
-32.5 |
3.73 |
-9.08 |
-0.17 |
0 |
|
|
129903 |
51074235 |
1 |
NSO2C10H15 |
ABC2D10E15 |
-63.46 |
3.07 |
-9.08 |
-0.2 |
0 |
|
|
129904 |
51074236 |
1 |
FSN3O3C15H16 |
ABC3D3E15F16 |
-162.5 |
2.59 |
-8.67 |
-0.54 |
0 |
|
|
129905 |
51074237 |
1 |
N3O3C13H21 |
A3B3C13D21 |
-89.72 |
5.63 |
-9.42 |
0.12 |
0 |
|
|
129906 |
51074240 |
1 |
FN2O3C17H25 |
AB2C3D17E25 |
-161.21 |
6.56 |
-8.87 |
-0.18 |
0 |