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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
73052 |
48416884 |
3 |
ON2H4C5 |
AB2C4D5 |
46.26 |
8.02 |
-9.27 |
-1.11 |
0 |
|
|
73053 |
48416890 |
1 |
O2N6C17H18 |
A2B6C17D18 |
8.74 |
4.07 |
-8.85 |
-1.0 |
0 |
|
|
73054 |
48416904 |
1 |
FSO3N5H12C17 |
ABC3D5E12F17 |
-31.01 |
8.17 |
-9.31 |
-1.29 |
0 |
|
|
73055 |
48416905 |
1 |
SO3N5H13C17 |
AB3C5D13E17 |
17.82 |
1.45 |
-9.4 |
-1.21 |
0 |
|
|
73056 |
48416906 |
1 |
SO3N5H11C12 |
AB3C5D11E12 |
-9.1 |
5.75 |
-9.48 |
-1.52 |
0 |
|
|
73057 |
48416907 |
1 |
O2N5H15C18 |
A2B5C15D18 |
30.24 |
6.09 |
-9.19 |
-1.0 |
0 |
|
|
73058 |
48416908 |
1 |
SO3N5H13C17 |
AB3C5D13E17 |
12.19 |
8.21 |
-9.24 |
-1.11 |
0 |
|
|
73059 |
48416909 |
1 |
SO3N7C17H19 |
AB3C7D17E19 |
-2.04 |
10.01 |
-9.49 |
-1.0 |
0 |
|
|
73060 |
48416914 |
1 |
FSO3N5H14C18 |
ABC3D5E14F18 |
-40.3 |
3.82 |
-9.25 |
-1.14 |
0 |
|
|
73061 |
48416915 |
1 |
SO4N5C15H17 |
AB4C5D15E17 |
-66.96 |
10.35 |
-9.33 |
-1.26 |
0 |
|
|
73062 |
48416917 |
1 |
SO3N5C14H15 |
AB3C5D14E15 |
-21.86 |
4.03 |
-9.55 |
-1.66 |
0 |
|
|
73063 |
48416919 |
1 |
SO3N5C15H17 |
AB3C5D15E17 |
-32.25 |
4.3 |
-9.56 |
-1.64 |
0 |
|
|
73064 |
48416922 |
1 |
SO3N5C15H17 |
AB3C5D15E17 |
-27.54 |
3.17 |
-9.56 |
-1.59 |
0 |
|
|
73065 |
48416925 |
1 |
SO3N5C14H15 |
AB3C5D14E15 |
-26.71 |
6.54 |
-9.52 |
-1.2 |
0 |
|
|
73066 |
48416927 |
1 |
FO2N5H10C13 |
AB2C5D10E13 |
-25.56 |
4.87 |
-9.55 |
-1.08 |
0 |
|
|
73067 |
48416928 |
1 |
ClOSN7H10C14 |
ABCD7E10F14 |
106.98 |
4.73 |
-8.95 |
-1.34 |
0 |
|
|
73068 |
48416929 |
1 |
OSN7H13C15 |
ABC7D13E15 |
105.32 |
6.35 |
-8.79 |
-1.2 |
0 |
|
|
73069 |
48416930 |
1 |
OSN7C11H13 |
ABC7D11E13 |
71.7 |
4.96 |
-8.82 |
-1.27 |
0 |
|
|
73070 |
48416935 |
1 |
OS2N5H9C13 |
AB2C5D9E13 |
100.83 |
4.94 |
-9.12 |
-1.25 |
0 |
|
|
73071 |
48416937 |
1 |
O2N5C15H15 |
A2B5C15D15 |
3.54 |
6.31 |
-9.43 |
-0.91 |
0 |
|
|
73072 |
48416938 |
1 |
ClON6H15C21 |
ABC6D15E21 |
118.29 |
5.43 |
-9.19 |
-0.93 |
0 |
|
|
73073 |
48416941 |
1 |
O2N6H12C15 |
A2B6C12D15 |
66.4 |
6.06 |
-9.51 |
-1.09 |
0 |
|
|
73074 |
48416942 |
1 |
ClO2N4H7C13 |
AB2C4D7E13 |
47.17 |
3.6 |
-9.52 |
-1.78 |
0 |
|
|
73075 |
48416945 |
1 |
O3N5C15H21 |
A3B5C15D21 |
-87.34 |
5.61 |
-9.44 |
-0.96 |
0 |
|
|
73076 |
48416948 |
1 |
FON4H9C12 |
ABC4D9E12 |
9.36 |
5.75 |
-9.39 |
-1.31 |
0 |
|
|
73077 |
48416950 |
1 |
O2N4H12C13 |
A2B4C12D13 |
16.73 |
5.88 |
-9.19 |
-1.15 |
0 |
|
|
73078 |
48416951 |
1 |
ON6H10C14 |
AB6C10D14 |
107.82 |
3.14 |
-9.26 |
-1.48 |
0 |
|
|
73079 |
48416953 |
1 |
ON7H17C20 |
AB7C17D20 |
120.71 |
4.11 |
-9.32 |
-1.52 |
0 |
|
|
73080 |
48416956 |
1 |
SO2N5C10H11 |
AB2C5D10E11 |
-10.3 |
5.9 |
-9.53 |
-1.05 |
0 |
|
|
73081 |
48416957 |
1 |
O2N5H19C22 |
A2B5C19D22 |
48.72 |
5.58 |
-8.43 |
-0.76 |
0 |
|
|
73082 |
48416958 |
1 |
BrO3N4H11C13 |
AB3C4D11E13 |
-8.69 |
2.91 |
-9.42 |
-1.41 |
0 |
|
|
73083 |
48416962 |
1 |
ON7H13C18 |
AB7C13D18 |
145.83 |
7.27 |
-9.42 |
-1.39 |
0 |
|
|
73084 |
48416969 |
1 |
OS2N5H9C13 |
AB2C5D9E13 |
97.16 |
5.71 |
-9.3 |
-1.76 |
0 |
|
|
73085 |
48416972 |
1 |
O2N7H9C13 |
A2B7C9D13 |
73.61 |
6.44 |
-9.5 |
-1.5 |
0 |
|
|
73086 |
48416973 |
1 |
ClOSN5H8C14 |
ABCD5E8F14 |
98.15 |
4.69 |
-9.45 |
-1.43 |
0 |
|
|
73087 |
48416975 |
1 |
SO2N6H12C15 |
AB2C6D12E15 |
31.55 |
3.57 |
-9.22 |
-1.97 |
0 |
|
|
73088 |
48416976 |
1 |
SO4N6C15H18 |
AB4C6D15E18 |
-52.79 |
6.06 |
-9.42 |
-0.93 |
0 |
|
|
73089 |
48416977 |
1 |
O2N4H6C9 |
A2B4C6D9 |
30.66 |
4.74 |
-9.38 |
-1.18 |
0 |
|
|
73090 |
48416979 |
1 |
O4N5C17H19 |
A4B5C17D19 |
-66.45 |
7.38 |
-8.69 |
-0.96 |
0 |
|
|
73091 |
48416980 |
1 |
BrO2N5H10C13 |
AB2C5D10E13 |
24.97 |
5.63 |
-9.55 |
-1.09 |
0 |
|
|
73092 |
48416981 |
1 |
O4N5H11C14 |
A4B5C11D14 |
-41.37 |
6.79 |
-9.31 |
-1.06 |
0 |
|
|
73093 |
48416982 |
1 |
N5O5C16H17 |
A5B5C16D17 |
-91.03 |
7.05 |
-9.09 |
-0.95 |
0 |
|
|
73094 |
48416983 |
1 |
BrO3N5H8C11 |
AB3C5D8E11 |
1.19 |
5.72 |
-9.51 |
-1.13 |
0 |
|
|
73095 |
48416985 |
1 |
O2N5C15H15 |
A2B5C15D15 |
3.18 |
7.57 |
-9.46 |
-0.96 |
0 |
|
|
73096 |
48416986 |
1 |
FSO3N5H12C17 |
ABC3D5E12F17 |
-30.66 |
6.57 |
-9.0 |
-1.62 |
0 |
|
|
73097 |
48416990 |
1 |
SO3N5H13C17 |
AB3C5D13E17 |
17.93 |
4.71 |
-9.01 |
-1.78 |
0 |
|
|
73098 |
48416991 |
1 |
FSO3N5H12C17 |
ABC3D5E12F17 |
-27.27 |
3.06 |
-9.36 |
-1.77 |
0 |
|
|
73099 |
48416992 |
1 |
ClSO3N5H12C17 |
ABC3D5E12F17 |
8.06 |
1.59 |
-9.02 |
-1.79 |
0 |
|
|
73100 |
48416993 |
1 |
SO3N5H17C19 |
AB3C5D17E19 |
1.14 |
2.34 |
-8.95 |
-1.68 |
0 |
|
|
73101 |
48416994 |
1 |
SO4N5H17C19 |
AB4C5D17E19 |
-26.72 |
2.14 |
-8.93 |
-1.63 |
0 |
|
|
73102 |
48416995 |
1 |
SO3N5H15C18 |
AB3C5D15E18 |
11.49 |
5.08 |
-9.28 |
-1.7 |
0 |
|
|
73103 |
48416997 |
1 |
O2F3N6H11C17 |
A2B3C6D11E17 |
-77.38 |
12.31 |
-9.26 |
-1.66 |
0 |
|
|
73104 |
48416998 |
1 |
O5N6H12C15 |
A5B6C12D15 |
-20.51 |
2.38 |
-9.67 |
-1.89 |
0 |
|
|
73105 |
48416999 |
1 |
O3N6H16C17 |
A3B6C16D17 |
-27.12 |
9.75 |
-9.16 |
-0.94 |
0 |
|
|
73106 |
48417000 |
1 |
ON4C16H18 |
AB4C16D18 |
30.68 |
5.45 |
-9.37 |
-0.8 |
0 |
|
|
73107 |
48417001 |
1 |
ON6H12C15 |
AB6C12D15 |
105.72 |
6.82 |
-9.33 |
-1.43 |
0 |
|
|
73108 |
48417002 |
1 |
O3N5C16H17 |
A3B5C16D17 |
-52.55 |
8.8 |
-9.23 |
-1.15 |
0 |
|
|
73109 |
48417004 |
1 |
ClO2N4H9C13 |
AB2C4D9E13 |
19.66 |
2.06 |
-9.24 |
-1.18 |
0 |
|
|
73110 |
48417011 |
1 |
SO2N5H17C19 |
AB2C5D17E19 |
49.13 |
8.24 |
-8.77 |
-1.18 |
0 |
|
|
73111 |
48417013 |
1 |
FO2N6H11C16 |
AB2C6D11E16 |
30.84 |
11.22 |
-9.21 |
-1.16 |
0 |
|
|
73112 |
48417016 |
1 |
FO2N6H11C15 |
AB2C6D11E15 |
33.34 |
4.28 |
-9.5 |
-1.07 |
0 |
|
|
73113 |
48417017 |
1 |
O3N5H13C16 |
A3B5C13D16 |
-25.59 |
6.83 |
-9.34 |
-1.24 |
0 |
|
|
73114 |
48417019 |
1 |
O2N6H12C15 |
A2B6C12D15 |
83.37 |
8.14 |
-9.14 |
-0.88 |
0 |
|
|
73115 |
48417020 |
1 |
OSN4H8C13 |
ABC4D8E13 |
81.21 |
5.56 |
-9.07 |
-1.62 |
0 |
|
|
73116 |
48417023 |
1 |
ON5H11C15 |
AB5C11D15 |
95.39 |
4.52 |
-9.27 |
-1.46 |
0 |
|
|
73117 |
48417028 |
1 |
BrO2N4H9C12 |
AB2C4D9E12 |
27.96 |
7.38 |
-9.34 |
-1.27 |
0 |
|
|
73118 |
48417029 |
1 |
SO3N5C15H15 |
AB3C5D15E15 |
-30.58 |
7.2 |
-9.12 |
-1.09 |
0 |
|
|
73119 |
48417031 |
1 |
ON4C11H12 |
AB4C11D12 |
38.06 |
4.77 |
-9.4 |
-0.83 |
0 |
|
|
73120 |
48417032 |
1 |
ClO3N4H11C14 |
AB3C4D11E14 |
-18.31 |
8.18 |
-9.34 |
-1.34 |
0 |
|
|
73121 |
48417033 |
1 |
OSN4H10C11 |
ABC4D10E11 |
48.14 |
5.85 |
-9.25 |
-1.13 |
0 |
|
|
73122 |
48417035 |
1 |
O3N5H11C16 |
A3B5C11D16 |
19.28 |
7.55 |
-9.28 |
-1.31 |
0 |
|
|
73123 |
48417036 |
1 |
F2O2N4H10C13 |
A2B2C4D10E13 |
-90.6 |
3.63 |
-9.46 |
-0.94 |
0 |
|
|
73124 |
48417038 |
1 |
OSN5H11C15 |
ABC5D11E15 |
84.82 |
2.39 |
-8.98 |
-1.55 |
0 |
|
|
73125 |
48417044 |
1 |
ON7C16H17 |
AB7C16D17 |
76.86 |
3.42 |
-9.06 |
-1.02 |
0 |
|
|
73126 |
48417046 |
1 |
OSN4H10C11 |
ABC4D10E11 |
52.57 |
6.63 |
-9.26 |
-1.38 |
0 |
|
|
73127 |
48417047 |
1 |
ON4H14C15 |
AB4C14D15 |
44.54 |
6.81 |
-9.25 |
-1.08 |
0 |
|
|
73128 |
48417048 |
1 |
OSN5H11C15 |
ABC5D11E15 |
96.56 |
6.75 |
-9.36 |
-1.4 |
0 |
|
|
73129 |
48417050 |
1 |
OSN7H15C16 |
ABC7D15E16 |
96.21 |
6.69 |
-8.74 |
-1.07 |
0 |
|
|
73130 |
48417051 |
2 |
ON3C8H9 |
AB3C8D9 |
3.04 |
4.38 |
-9.39 |
-1.35 |
0 |
|
|
73131 |
48417053 |
1 |
FOSN5H10C15 |
ABCD5E10F15 |
36.53 |
2.51 |
-9.06 |
-1.64 |
0 |
|
|
73132 |
48417054 |
1 |
BrO3N4C16H17 |
AB3C4D16E17 |
-28.84 |
3.86 |
-8.6 |
-0.98 |
0 |
|
|
73133 |
48417055 |
1 |
O3N5C16H17 |
A3B5C16D17 |
-49.96 |
6.73 |
-9.28 |
-1.2 |
0 |
|
|
73134 |
48417056 |
1 |
O2F3N6H11C17 |
A2B3C6D11E17 |
-85.52 |
7.41 |
-9.35 |
-1.47 |
0 |
|
|
73135 |
48417059 |
1 |
O2N6H12C15 |
A2B6C12D15 |
81.26 |
2.42 |
-9.56 |
-1.09 |
0 |
|
|
73136 |
48417060 |
1 |
O2N5H13C14 |
A2B5C13D14 |
11.7 |
7.36 |
-9.47 |
-0.97 |
0 |
|
|
73137 |
48417063 |
1 |
O4N5C15H15 |
A4B5C15D15 |
-52.62 |
6.69 |
-8.82 |
-0.98 |
0 |
|
|
73138 |
48417064 |
1 |
O2N5C17H19 |
A2B5C17D19 |
-2.48 |
7.6 |
-9.45 |
-0.94 |
0 |
|
|
73139 |
48417065 |
1 |
FO2N5H10C13 |
AB2C5D10E13 |
-24.28 |
7.08 |
-9.51 |
-1.04 |
0 |
|
|
73140 |
48417067 |
1 |
ClO2N5H10C13 |
AB2C5D10E13 |
12.91 |
6.88 |
-9.5 |
-1.02 |
0 |
|
|
73141 |
48417068 |
1 |
O2N5C15H15 |
A2B5C15D15 |
1.85 |
7.15 |
-9.47 |
-0.98 |
0 |
|
|
73142 |
48417069 |
1 |
O3N5C15H15 |
A3B5C15D15 |
-26.92 |
4.29 |
-9.45 |
-0.94 |
0 |
|
|
73143 |
48417075 |
1 |
SO3N5C15H17 |
AB3C5D15E17 |
-30.53 |
8.56 |
-9.32 |
-1.37 |
0 |
|
|
73144 |
48417077 |
1 |
ClO3N4H7C12 |
AB3C4D7E12 |
-3.63 |
5.29 |
-9.44 |
-1.51 |
0 |
|
|
73145 |
48417078 |
1 |
O3N4C14H14 |
A3B4C14D14 |
-27.15 |
6.86 |
-8.99 |
-0.6 |
0 |
|
|
73146 |
48417081 |
1 |
OSCl2H4N4C9 |
ABC2D4E4F9 |
68.51 |
4.62 |
-9.43 |
-1.68 |
0 |
|
|
73147 |
48417086 |
2 |
ON3H7C9 |
AB3C7D9 |
46.78 |
8.94 |
-9.18 |
-1.19 |
0 |
|
|
73148 |
48417087 |
1 |
ClFO2N4H8C12 |
ABC2D4E8F12 |
-25.3 |
1.52 |
-9.54 |
-1.23 |
0 |
|
|
73149 |
48417091 |
1 |
ON6H10C14 |
AB6C10D14 |
113.92 |
4.06 |
-9.41 |
-1.54 |
0 |
|
|
73150 |
48417092 |
1 |
ON8C14H14 |
AB8C14D14 |
101.53 |
5.78 |
-9.65 |
-1.24 |
0 |
|
|
73151 |
48417095 |
1 |
ClO2N4H9C14 |
AB2C4D9E14 |
37.58 |
4.91 |
-9.39 |
-1.66 |
0 |