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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
162799 |
57570897 |
1 |
SO3C9H18 |
AB3C9D18 |
-163.44 |
2.27 |
-9.55 |
0.0 |
0 |
|
|
162801 |
57570940 |
2 |
NO2C11H12 |
AB2C11D12 |
-87.75 |
3.25 |
-8.56 |
-0.34 |
0 |
|
|
162802 |
57570943 |
1 |
S2N3O3C21H35 |
A2B3C3D21E35 |
-146.03 |
2.85 |
-8.93 |
-0.96 |
0 |
|
|
162804 |
57570953 |
1 |
N2S2O3C15H26 |
A2B2C3D15E26 |
-123.51 |
2.21 |
-8.92 |
-0.96 |
0 |
|
|
162805 |
57570970 |
1 |
N2O5C16H26 |
A2B5C16D26 |
-233.35 |
6.03 |
-9.74 |
-0.31 |
0 |
|
|
162806 |
57570972 |
1 |
NS4O8C20H33 |
AB4C8D20E33 |
-360.53 |
11.38 |
-9.11 |
-1.16 |
0 |
|
|
162807 |
57570976 |
1 |
N4O13C30H30 |
A4B13C30D30 |
-280.43 |
11.27 |
-9.75 |
-1.64 |
0 |
|
|
162808 |
57570977 |
2 |
NS2O3C9H16 |
AB2C3D9E16 |
-257.69 |
12.8 |
-9.1 |
-1.19 |
0 |
|
|
162809 |
57570978 |
1 |
S2N5O8C47H55 |
A2B5C8D47E55 |
-204.92 |
5.92 |
-8.47 |
-1.08 |
0 |
|
|
162810 |
57570980 |
1 |
S2N6O7C52H64 |
A2B6C7D52E64 |
-174.47 |
3.54 |
-8.42 |
-0.92 |
0 |
|
|
162811 |
57570981 |
1 |
NO4C15H17 |
AB4C15D17 |
-103.8 |
4.25 |
-9.06 |
-1.03 |
0 |
|
|
162812 |
57570983 |
1 |
N2S4O7C24H40 |
A2B4C7D24E40 |
-323.2 |
10.35 |
-8.66 |
-0.83 |
0 |
|
|
162813 |
57570987 |
1 |
S2N7O7C51H63 |
A2B7C7D51E63 |
-166.78 |
5.77 |
-8.43 |
-0.97 |
0 |
|
|
162814 |
57570989 |
1 |
NS2O3C15H25 |
AB2C3D15E25 |
-134.33 |
3.3 |
-8.77 |
-0.82 |
0 |
|
|
162815 |
57570991 |
1 |
BrO4C10H11 |
AB4C10D11 |
-126.37 |
1.26 |
-8.91 |
-0.82 |
0 |
|
|
162816 |
57570993 |
1 |
N2S2O3C18H30 |
A2B2C3D18E30 |
-149.11 |
8.04 |
-9.11 |
-1.12 |
0 |
|
|
162817 |
57571002 |
1 |
FSO4N5C23H24 |
ABC4D5E23F24 |
-127.28 |
4.85 |
-9.4 |
-1.2 |
0 |
|
|
162818 |
57571010 |
1 |
ClO3N5C21H24 |
AB3C5D21E24 |
-78.43 |
7.48 |
-9.32 |
-1.21 |
0 |
|
|
162819 |
57571013 |
1 |
O3N5C19H25 |
A3B5C19D25 |
-89.61 |
2.51 |
-9.07 |
-0.56 |
0 |
|
|
162820 |
57571015 |
1 |
F2O4N5C25H33 |
A2B4C5D25E33 |
-226.46 |
4.22 |
-8.91 |
-0.72 |
0 |
|
|
162822 |
57571018 |
1 |
FSO4N5C24H28 |
ABC4D5E24F28 |
-133.18 |
11.1 |
-8.72 |
-0.89 |
0 |
|
|
162824 |
57571021 |
1 |
F2N3O4C23H29 |
A2B3C4D23E29 |
-238.98 |
3.4 |
-8.48 |
-0.38 |
0 |
|
|
162825 |
57571056 |
1 |
BrF2O3N4C19H21 |
AB2C3D4E19F21 |
-178.37 |
4.53 |
-9.18 |
-1.08 |
0 |
|
|
162826 |
57571058 |
1 |
FSO4N5C21H28 |
ABC4D5E21F28 |
-183.03 |
3.39 |
-9.3 |
-1.12 |
0 |
|
|
162827 |
57571060 |
1 |
F2O4N6C23H30 |
A2B4C6D23E30 |
-206.2 |
3.24 |
-8.64 |
-0.64 |
0 |
|
|
162829 |
57571068 |
2 |
N2O2C10H13 |
A2B2C10D13 |
-129.18 |
3.9 |
-9.59 |
-0.61 |
0 |
|
|
162830 |
57571070 |
1 |
F2O3N5C23H31 |
A2B3C5D23E31 |
-196.96 |
5.08 |
-8.33 |
-0.49 |
0 |
|
|
162831 |
57571073 |
1 |
O3N6C22H32 |
A3B6C22D32 |
-88.29 |
3.2 |
-9.08 |
-0.26 |
0 |
|
|
162833 |
57571081 |
1 |
O3N5C24H33 |
A3B5C24D33 |
-104.65 |
4.46 |
-8.18 |
-0.17 |
0 |
|
|
162834 |
57571084 |
1 |
FSO4N5C24H28 |
ABC4D5E24F28 |
-131.92 |
9.69 |
-8.46 |
-1.03 |
0 |
|
|
162835 |
57571085 |
1 |
F3O3N4C20H23 |
A3B3C4D20E23 |
-236.26 |
4.17 |
-9.22 |
-0.97 |
0 |
|
|
162838 |
57571095 |
1 |
F2O3N5C24H33 |
A2B3C5D24E33 |
-197.03 |
5.26 |
-8.62 |
-0.34 |
0 |
|
|
162839 |
57571101 |
1 |
F2N4O4C21H26 |
A2B4C4D21E26 |
-226.63 |
2.47 |
-9.41 |
-0.54 |
0 |
|
|
162840 |
57571115 |
1 |
O3N5C18H23 |
A3B5C18D23 |
-82.86 |
4.9 |
-9.32 |
-0.77 |
0 |
|
|
162841 |
57571123 |
1 |
FN4O4C21H27 |
AB4C4D21E27 |
-185.56 |
5.78 |
-8.82 |
-0.54 |
0 |
|
|
162842 |
57571127 |
1 |
FO3N5C20H26 |
AB3C5D20E26 |
-144.1 |
3.04 |
-9.04 |
-0.8 |
0 |
|
|
162843 |
57571131 |
1 |
O4N5C21H25 |
A4B5C21D25 |
-102.3 |
6.86 |
-9.23 |
-1.05 |
0 |
|
|
162844 |
57578057 |
1 |
N5O6C17H23 |
A5B6C17D23 |
-159.46 |
9.11 |
-8.69 |
-1.58 |
0 |
|
|
162845 |
57578069 |
2 |
NOC29H30 |
ABC29D30 |
44.9 |
5.08 |
-8.05 |
-1.86 |
0 |
|
|
162846 |
57578075 |
1 |
N2O4C57H58 |
A2B4C57D58 |
-40.78 |
8.51 |
-8.38 |
-1.6 |
0 |
|
|
162848 |
57578078 |
1 |
SO3N4C62H62 |
AB3C4D62E62 |
48.81 |
4.65 |
-7.97 |
-1.93 |
0 |
|
|
162849 |
57578081 |
1 |
O2N5H7C10 |
A2B5C7D10 |
63.17 |
4.63 |
-10.08 |
-2.04 |
0 |
|
|
162850 |
57578092 |
1 |
N3O3H7C9 |
A3B3C7D9 |
-46.1 |
2.52 |
-9.64 |
-1.62 |
0 |
|
|
162851 |
57578093 |
1 |
SN2O2H38C48 |
AB2C2D38E48 |
139.4 |
4.83 |
-7.91 |
-1.76 |
0 |
|
|
162852 |
57578094 |
1 |
INSC58H68 |
ABCD58E68 |
59.43 |
2.12 |
-7.81 |
-1.11 |
0 |
|
|
162854 |
57578118 |
1 |
N3S3O4C59H63 |
A3B3C4D59E63 |
-63.92 |
8.36 |
-8.2 |
-1.85 |
0 |
|
|
162855 |
57578119 |
1 |
SN2O3C60H60 |
AB2C3D60E60 |
32.04 |
7.97 |
-7.98 |
-1.89 |
0 |
|
|
162856 |
57578121 |
1 |
NaSN3O6H44C51 |
ABC3D6E44F51 |
-61.25 |
70.57 |
-7.47 |
-2.24 |
0 |
|
|
162857 |
57578122 |
1 |
SN3O6H45C51 |
AB3C6D45E51 |
-74.78 |
9.88 |
-8.35 |
-1.98 |
0 |
|
|
162858 |
57578124 |
1 |
NS2C56H59 |
AB2C56D59 |
100.2 |
1.19 |
-7.82 |
-0.9 |
0 |
|
|
162859 |
57578131 |
2 |
NSO3C32H32 |
ABC3D32E32 |
-77.88 |
8.55 |
-7.84 |
-1.87 |
0 |
|
|
162860 |
57578134 |
1 |
SN2O2H36C46 |
AB2C2D36E46 |
127.48 |
5.89 |
-7.95 |
-1.73 |
0 |
|
|
162861 |
57578136 |
1 |
SN2O2C59H60 |
AB2C2D59E60 |
52.01 |
8.06 |
-7.95 |
-2.02 |
0 |
|
|
162862 |
57578138 |
1 |
O2N3H7C10 |
A2B3C7D10 |
19.03 |
4.21 |
-9.51 |
-1.69 |
0 |
|
|
162863 |
57578139 |
1 |
Cl2O2N4H6C11 |
A2B2C4D6E11 |
35.45 |
2.9 |
-9.78 |
-2.3 |
0 |
|
|
162864 |
57578141 |
1 |
NC48H55 |
AB48C55 |
48.13 |
1.26 |
-7.78 |
-0.41 |
0 |
|
|
162865 |
57578142 |
1 |
NOSC53H57 |
ABCD53E57 |
46.4 |
4.91 |
-7.96 |
-1.16 |
0 |
|
|
162868 |
57578147 |
1 |
NSC52H57 |
ABC52D57 |
77.0 |
1.42 |
-7.86 |
-0.59 |
0 |
|
|
162869 |
57578149 |
1 |
NSC68H89 |
ABC68D89 |
0.13 |
1.2 |
-7.84 |
-0.51 |
1 |
|
|
162871 |
57578176 |
1 |
SN3O3C63H63 |
AB3C3D63E63 |
38.7 |
5.44 |
-7.95 |
-1.95 |
0 |
|
|
162872 |
57578179 |
1 |
NOSH33C41 |
ABCD33E41 |
102.21 |
4.97 |
-7.98 |
-1.17 |
0 |
|
|
162873 |
57578185 |
1 |
SN3O3C65H65 |
AB3C3D65E65 |
47.43 |
4.04 |
-7.93 |
-2.02 |
0 |
|
|
162874 |
57578211 |
1 |
SO3N4C62H62 |
AB3C4D62E62 |
47.7 |
5.79 |
-8.08 |
-2.11 |
0 |
|
|
162875 |
57578221 |
1 |
SN3O3H39C51 |
AB3C3D39E51 |
94.6 |
2.87 |
-7.95 |
-1.92 |
0 |
|
|
162876 |
57578233 |
2 |
NO5C67H103 |
AB5C67D103 |
-694.15 |
1.71 |
-8.11 |
-2.41 |
2 |
|
|
162877 |
57578238 |
2 |
N2C11H12 |
A2B11C12 |
166.03 |
4.74 |
-6.76 |
-0.09 |
0 |
|
|
162878 |
57578240 |
2 |
NOH3C7 |
ABC3D7 |
95.65 |
3.79 |
-9.81 |
-3.08 |
0 |
|
|
162879 |
57578242 |
2 |
NOH7C13 |
ABC7D13 |
142.8 |
3.2 |
-9.42 |
-2.86 |
2 |
|
|
162880 |
57578245 |
1 |
N4H60C61 |
A4B60C61 |
238.66 |
1.56 |
-7.31 |
-0.49 |
0 |
|
|
162881 |
57578246 |
2 |
NOH6C12 |
ABC6D12 |
109.03 |
6.71 |
-9.56 |
-2.27 |
2 |
|
|
162882 |
57578254 |
2 |
N2H13C15 |
A2B13C15 |
185.17 |
4.7 |
-7.24 |
0.05 |
2 |
|
|
162883 |
57578257 |
1 |
N4H44C85 |
A4B44C85 |
971.13 |
6.78 |
-8.21 |
-1.61 |
2 |
|
|
162884 |
57578270 |
1 |
N4H44C77 |
A4B44C77 |
715.75 |
7.13 |
-7.58 |
-1.76 |
0 |
|
|
162885 |
57578276 |
1 |
N2O2H12C17 |
A2B2C12D17 |
65.37 |
8.49 |
-8.64 |
-1.36 |
-1 |
|
|
162886 |
57578278 |
1 |
NCl2S2O4 |
AB2C2D4 |
-99.74 |
0.56 |
0.0 |
0.0 |
1 |
|
|
162888 |
57578281 |
1 |
ClN2O4C40H52 |
AB2C4D40E52 |
-118.65 |
2.31 |
0.0 |
0.0 |
1 |
|
|
162889 |
57578282 |
1 |
ClN2O4C42H56 |
AB2C4D42E56 |
-135.63 |
3.25 |
0.0 |
0.0 |
1 |
|
|
162890 |
57578284 |
1 |
N2C37H39 |
A2B37C39 |
100.96 |
2.77 |
0.0 |
0.0 |
1 |
|
|
162891 |
57578286 |
1 |
ClN2O6C42H56 |
AB2C6D42E56 |
-205.1 |
2.83 |
0.0 |
0.0 |
1 |
|
|
162892 |
57578287 |
1 |
N2S2C21H23 |
A2B2C21D23 |
64.14 |
2.2 |
0.0 |
0.0 |
1 |
|
|
162893 |
57578289 |
1 |
ClN2O4C36H44 |
AB2C4D36E44 |
-106.24 |
4.01 |
0.0 |
0.0 |
1 |
|
|
162894 |
57578294 |
1 |
N2C43H51 |
A2B43C51 |
69.64 |
1.16 |
0.0 |
0.0 |
1 |
|
|
162896 |
57578303 |
1 |
ClKN2O8H38C60 |
ABC2D8E38F60 |
428.5 |
65.94 |
-8.43 |
-2.94 |
1 |
|
|
162897 |
57578304 |
1 |
ClN2O8H40C60 |
AB2C8D40E60 |
407.84 |
19.62 |
0.0 |
0.0 |
0 |
|
|
162899 |
57578310 |
1 |
SO5C25H38 |
AB5C25D38 |
-240.95 |
9.65 |
-9.43 |
-1.0 |
0 |
|
|
162900 |
57578316 |
1 |
SiC35H45 |
AB35C45 |
11.89 |
0.48 |
0.0 |
0.0 |
0 |
|
|
162901 |
57578319 |
1 |
OC18H24 |
AB18C24 |
-43.27 |
1.91 |
-7.84 |
0.04 |
0 |
|
|
162902 |
57580719 |
1 |
O3N5C26H27 |
A3B5C26D27 |
-32.92 |
4.0 |
-8.31 |
-1.04 |
0 |
|
|
162903 |
57580725 |
1 |
O3N5H21C26 |
A3B5C21D26 |
-2.02 |
7.65 |
-8.5 |
-1.19 |
0 |
|
|
162904 |
57580739 |
1 |
O2N5C29H29 |
A2B5C29D29 |
15.36 |
4.3 |
-9.01 |
-1.06 |
0 |
|
|
162906 |
57580747 |
1 |
SO3N5H21C22 |
AB3C5D21E22 |
-18.59 |
6.77 |
-8.39 |
-1.1 |
0 |
|
|
162909 |
57580774 |
1 |
N2O3H26C29 |
A2B3C26D29 |
-28.05 |
7.18 |
-9.09 |
-1.19 |
0 |
|
|
162910 |
57580778 |
1 |
ON5C23H23 |
AB5C23D23 |
69.45 |
3.36 |
-7.98 |
-0.46 |
0 |
|
|
162911 |
57580787 |
2 |
ON3C12H12 |
AB3C12D12 |
21.06 |
5.02 |
-8.48 |
-1.16 |
0 |
|
|
162912 |
57580794 |
1 |
ON4C30H34 |
AB4C30D34 |
41.54 |
8.96 |
-8.1 |
-0.82 |
0 |
|
|
162913 |
57580809 |
2 |
N3C13H15 |
A3B13C15 |
101.07 |
4.64 |
-7.87 |
-0.45 |
0 |
|
|
162914 |
57580816 |
1 |
FO2N5H22C28 |
AB2C5D22E28 |
14.23 |
5.75 |
-8.54 |
-1.23 |
0 |
|
|
162915 |
57580819 |
2 |
ON3H13C14 |
AB3C13D14 |
42.85 |
6.61 |
-8.24 |
-1.14 |
0 |
|
|
162916 |
57580820 |
1 |
ON5C25H27 |
AB5C25D27 |
52.89 |
4.7 |
-8.13 |
-1.04 |
0 |
|
|
162917 |
57580824 |
1 |
O2N4H28C29 |
A2B4C28D29 |
42.3 |
10.25 |
-8.65 |
-1.1 |
0 |