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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
365092 |
127316834 |
1 |
ClON5C18H22 |
ABC5D18E22 |
25.14 |
2.9 |
-8.66 |
-1.05 |
0 |
|
|
365093 |
127316835 |
1 |
ClON5C20H26 |
ABC5D20E26 |
14.08 |
5.58 |
-8.66 |
-0.89 |
0 |
|
|
365094 |
127316836 |
1 |
OSF3N6C13H19 |
ABC3D6E13F19 |
-126.94 |
7.03 |
-9.15 |
-0.7 |
0 |
|
|
365095 |
127316837 |
1 |
N3O3C21H29 |
A3B3C21D29 |
-109.72 |
3.39 |
-8.83 |
0.16 |
0 |
|
|
365096 |
127316838 |
1 |
SN3O4C19H29 |
AB3C4D19E29 |
-156.59 |
6.88 |
-8.38 |
0.01 |
0 |
|
|
365097 |
127316839 |
1 |
ON4C16H24 |
AB4C16D24 |
8.97 |
2.2 |
-8.62 |
0.24 |
0 |
|
|
365098 |
127316840 |
1 |
O2N4C21H28 |
A2B4C21D28 |
1.66 |
5.95 |
-9.03 |
-1.05 |
0 |
|
|
365099 |
127316841 |
1 |
ON5C13H21 |
AB5C13D21 |
0.65 |
6.7 |
-9.03 |
0.19 |
0 |
|
|
365100 |
127316842 |
1 |
O3N4C20H24 |
A3B4C20D24 |
-92.97 |
6.66 |
-8.63 |
-0.88 |
0 |
|
|
365101 |
127316843 |
1 |
OF3N5C18H20 |
AB3C5D18E20 |
-111.95 |
5.59 |
-8.72 |
-1.33 |
0 |
|
|
365102 |
127316844 |
1 |
O2N3C13H23 |
A2B3C13D23 |
-98.79 |
4.02 |
-8.81 |
0.91 |
0 |
|
|
365103 |
127316845 |
2 |
ON2C11H15 |
AB2C11D15 |
-22.48 |
4.98 |
-8.53 |
-0.66 |
0 |
|
|
365104 |
127316846 |
1 |
ON3C14H21 |
AB3C14D21 |
-22.28 |
3.67 |
-8.7 |
0.41 |
0 |
|
|
365105 |
127316847 |
1 |
ON4C15H24 |
AB4C15D24 |
-25.12 |
4.38 |
-8.6 |
0.55 |
0 |
|
|
365106 |
127316848 |
2 |
ON2C9H12 |
AB2C9D12 |
-9.8 |
5.58 |
-8.95 |
-1.09 |
0 |
|
|
365107 |
127316849 |
1 |
FO2N4C18H25 |
AB2C4D18E25 |
-117.45 |
7.12 |
-9.04 |
0.04 |
0 |
|
|
365108 |
127316850 |
1 |
OSN3C14H21 |
ABC3D14E21 |
-29.64 |
4.49 |
-8.73 |
-0.62 |
0 |
|
|
365109 |
127316851 |
1 |
N3O3C19H25 |
A3B3C19D25 |
-111.57 |
3.99 |
-8.67 |
-0.35 |
0 |
|
|
365110 |
127316852 |
2 |
ON2C11H13 |
AB2C11D13 |
-39.09 |
5.7 |
-8.7 |
-0.38 |
0 |
|
|
365111 |
127316853 |
1 |
ClON3C13H18 |
ABC3D13E18 |
-28.63 |
3.68 |
-8.83 |
-0.08 |
0 |
|
|
365112 |
127316854 |
1 |
SN3O3C18H25 |
AB3C3D18E25 |
-103.51 |
8.92 |
-8.64 |
-0.16 |
0 |
|
|
365113 |
127316855 |
1 |
ON3C13H19 |
AB3C13D19 |
-20.73 |
3.31 |
-8.72 |
0.2 |
0 |
|
|
365114 |
127316856 |
1 |
SO2N3C16H23 |
AB2C3D16E23 |
-64.18 |
4.15 |
-8.74 |
-0.62 |
0 |
|
|
365115 |
127316857 |
1 |
SN3O3C18H27 |
AB3C3D18E27 |
-113.96 |
5.47 |
-8.84 |
-0.36 |
0 |
|
|
365116 |
127316858 |
1 |
ON3C14H19 |
AB3C14D19 |
-9.55 |
5.04 |
-8.76 |
-0.49 |
0 |
|
|
365117 |
127316859 |
1 |
ClSN3O3C17H24 |
ABC3D3E17F24 |
-111.12 |
2.32 |
-8.82 |
-0.99 |
0 |
|
|
365118 |
127316860 |
1 |
O2N3C16H27 |
A2B3C16D27 |
-107.94 |
1.25 |
-8.69 |
0.75 |
0 |
|
|
365119 |
127316861 |
1 |
FSO2N3C19H26 |
ABC2D3E19F26 |
-124.21 |
7.15 |
-8.86 |
-0.23 |
0 |
|
|
365120 |
127316874 |
1 |
OF4N5C18H19 |
AB4C5D18E19 |
-154.55 |
3.84 |
-8.76 |
-1.22 |
0 |
|
|
365121 |
127316875 |
2 |
ON2C10H13 |
AB2C10D13 |
-10.33 |
4.63 |
-8.64 |
-1.04 |
0 |
|
|
365122 |
127316879 |
1 |
ClON5C20H26 |
ABC5D20E26 |
14.73 |
7.06 |
-8.59 |
-0.85 |
0 |
|
|
365123 |
127316880 |
1 |
S2N3O3C18H27 |
A2B3C3D18E27 |
-101.92 |
3.86 |
-8.65 |
-1.09 |
0 |
|
|
365124 |
127316881 |
1 |
N3O3C20H27 |
A3B3C20D27 |
-88.23 |
4.57 |
-8.82 |
-0.13 |
0 |
|
|
365125 |
127316882 |
1 |
O2N5C20H29 |
A2B5C20D29 |
-42.8 |
8.05 |
-8.53 |
-0.98 |
0 |
|
|
365126 |
127316883 |
2 |
ON2C7H12 |
AB2C7D12 |
-95.96 |
4.7 |
-8.56 |
0.6 |
0 |
|
|
365127 |
127316884 |
2 |
ON2C9H13 |
AB2C9D13 |
-77.68 |
3.9 |
-8.67 |
0.29 |
0 |
|
|
365128 |
127316885 |
1 |
OSN5C15H25 |
ABC5D15E25 |
-11.59 |
2.43 |
-8.62 |
0.0 |
0 |
|
|
365129 |
127316886 |
1 |
ON4C16H20 |
AB4C16D20 |
15.45 |
5.26 |
-8.78 |
-0.64 |
0 |
|
|
365130 |
127316887 |
1 |
SO2N4C19H26 |
AB2C4D19E26 |
-67.08 |
4.12 |
-8.77 |
-1.0 |
0 |
|
|
365131 |
127316888 |
1 |
FO2N4C21H31 |
AB2C4D21E31 |
-133.66 |
2.75 |
-8.8 |
-0.22 |
0 |
|
|
365132 |
127316889 |
1 |
O2N4C21H32 |
A2B4C21D32 |
-87.53 |
1.98 |
-8.82 |
0.16 |
0 |
|
|
365133 |
127316890 |
1 |
OF2N2C15H18 |
AB2C2D15E18 |
-116.4 |
4.64 |
-8.93 |
-0.74 |
0 |
|
|
365134 |
127316918 |
1 |
N3O3C20H25 |
A3B3C20D25 |
-104.3 |
4.15 |
-8.65 |
-1.28 |
0 |
|
|
365135 |
127316919 |
1 |
O2N6C19H26 |
A2B6C19D26 |
0.36 |
4.94 |
-8.63 |
-1.02 |
0 |
|
|
365136 |
127316920 |
1 |
OSN5C21H23 |
ABC5D21E23 |
70.89 |
6.08 |
-8.6 |
-1.1 |
0 |
|
|
365137 |
127316921 |
1 |
ON2C14H26 |
AB2C14D26 |
-79.39 |
4.0 |
-8.71 |
1.44 |
0 |
|
|
365138 |
127316922 |
1 |
SN3O3C20H29 |
AB3C3D20E29 |
-110.75 |
6.56 |
-8.8 |
-0.52 |
0 |
|
|
365139 |
127316923 |
1 |
ON5C23H25 |
AB5C23D25 |
61.29 |
4.78 |
-8.73 |
-0.83 |
0 |
|
|
365140 |
127316924 |
1 |
ClSO2N3C18H22 |
ABC2D3E18F22 |
-79.77 |
2.28 |
-8.75 |
-0.88 |
0 |
|
|
365141 |
127316925 |
1 |
O2N5C17H21 |
A2B5C17D21 |
-11.34 |
6.13 |
-8.75 |
-1.42 |
0 |
|
|
365142 |
127316946 |
1 |
N3O3C21H31 |
A3B3C21D31 |
-131.66 |
5.05 |
-8.86 |
0.26 |
0 |
|
|
365143 |
127316947 |
1 |
N2O3C24H34 |
A2B3C24D34 |
-131.79 |
4.66 |
-9.19 |
0.13 |
0 |
|
|
365144 |
127316948 |
1 |
N2O2C25H36 |
A2B2C25D36 |
-106.71 |
3.29 |
-8.99 |
0.44 |
0 |
|
|
365145 |
127316949 |
1 |
O2N3C21H29 |
A2B3C21D29 |
-57.23 |
1.41 |
-9.38 |
0.0 |
0 |
|
|
365146 |
127316950 |
1 |
N5C19H25 |
A5B19C25 |
52.26 |
7.39 |
-8.7 |
-0.67 |
0 |
|
|
365147 |
127316951 |
1 |
N7C22H27 |
A7B22C27 |
92.53 |
4.09 |
-8.47 |
-0.34 |
0 |
|
|
365148 |
127316952 |
1 |
FON6C21H27 |
ABC6D21E27 |
-47.44 |
6.83 |
-8.81 |
-0.15 |
0 |
|
|
365149 |
127316953 |
1 |
FON6C20H25 |
ABC6D20E25 |
-42.37 |
2.41 |
-8.81 |
-0.26 |
0 |
|
|
365150 |
127316954 |
1 |
O2N6C13H18 |
A2B6C13D18 |
-39.77 |
3.67 |
-8.94 |
-0.14 |
0 |
|
|
365151 |
127316955 |
1 |
N5C15H21 |
A5B15C21 |
77.91 |
0.51 |
-8.63 |
-0.83 |
0 |
|
|
365152 |
127316956 |
1 |
ON6C14H20 |
AB6C14D20 |
53.1 |
7.46 |
-8.77 |
-1.15 |
0 |
|
|
365153 |
127316957 |
1 |
ON6C15H22 |
AB6C15D22 |
55.11 |
5.53 |
-8.94 |
-0.74 |
0 |
|
|
365154 |
127316958 |
1 |
O2S2N4C11H18 |
A2B2C4D11E18 |
-34.66 |
7.32 |
-8.84 |
-0.95 |
0 |
|
|
365155 |
127316959 |
1 |
OF2N4C19H20 |
AB2C4D19E20 |
-53.32 |
3.14 |
-8.78 |
-1.45 |
0 |
|
|
365156 |
127316960 |
1 |
ON5C17H27 |
AB5C17D27 |
-10.33 |
4.41 |
-8.49 |
0.12 |
0 |
|
|
365157 |
127316961 |
1 |
N6C17H24 |
A6B17C24 |
85.14 |
4.9 |
-8.53 |
-0.64 |
0 |
|
|
365158 |
127316962 |
1 |
O2N6C15H22 |
A2B6C15D22 |
-40.96 |
4.95 |
-8.99 |
-0.55 |
0 |
|
|
365159 |
127316963 |
1 |
N7C12H17 |
A7B12C17 |
140.74 |
9.27 |
-9.2 |
-1.36 |
0 |
|
|
365160 |
127316964 |
1 |
ON5C18H29 |
AB5C18D29 |
-15.61 |
2.81 |
-8.45 |
0.17 |
0 |
|
|
365161 |
127316965 |
1 |
N6C19H22 |
A6B19C22 |
114.55 |
3.04 |
-8.63 |
-0.71 |
0 |
|
|
365162 |
127316966 |
1 |
ON4C21H28 |
AB4C21D28 |
-5.72 |
4.91 |
-8.7 |
0.21 |
0 |
|
|
365163 |
127316967 |
1 |
N6C19H22 |
A6B19C22 |
104.31 |
3.45 |
-8.62 |
-0.62 |
0 |
|
|
365164 |
127316968 |
1 |
ON5C16H25 |
AB5C16D25 |
51.5 |
5.18 |
-9.66 |
-0.32 |
0 |
|
|
365165 |
127316969 |
1 |
O3N4C14H18 |
A3B4C14D18 |
-48.36 |
4.93 |
-9.96 |
-0.44 |
0 |
|
|
365166 |
127316970 |
1 |
FN2O4C17H19 |
AB2C4D17E19 |
-196.14 |
1.86 |
-9.06 |
-0.49 |
0 |
|
|
365167 |
127316971 |
1 |
O3N4C22H30 |
A3B4C22D30 |
-81.02 |
7.27 |
-8.49 |
-0.12 |
0 |
|
|
365168 |
127316972 |
1 |
O2N5C18H29 |
A2B5C18D29 |
-57.8 |
5.05 |
-8.67 |
0.28 |
0 |
|
|
365169 |
127316973 |
1 |
ON5C22H39 |
AB5C22D39 |
-46.73 |
5.08 |
-8.6 |
0.46 |
0 |
|
|
365170 |
127316974 |
1 |
ON4C16H26 |
AB4C16D26 |
-21.77 |
5.06 |
-8.99 |
0.82 |
0 |
|
|
365171 |
127316975 |
1 |
O2N4C17H30 |
A2B4C17D30 |
-84.18 |
7.28 |
-8.45 |
0.66 |
0 |
|
|
365172 |
127316976 |
1 |
O2N6C19H30 |
A2B6C19D30 |
-21.39 |
6.72 |
-8.65 |
-0.32 |
0 |
|
|
365173 |
127316977 |
1 |
O2N5C21H37 |
A2B5C21D37 |
-87.83 |
6.46 |
-8.61 |
0.43 |
0 |
|
|
365174 |
127316978 |
1 |
F3O3N4C18H19 |
A3B3C4D18E19 |
-196.48 |
7.71 |
-9.31 |
-0.71 |
0 |
|
|
365175 |
127316979 |
1 |
OF3N4C19H21 |
AB3C4D19E21 |
-143.28 |
6.39 |
-9.27 |
-0.64 |
0 |
|
|
365176 |
127316980 |
1 |
O3N5C20H33 |
A3B5C20D33 |
-116.85 |
6.28 |
-9.02 |
0.44 |
0 |
|
|
365177 |
127316994 |
1 |
ON5C21H33 |
AB5C21D33 |
-44.26 |
1.17 |
-8.72 |
0.83 |
0 |
|
|
365178 |
127316995 |
1 |
O2N6C21H28 |
A2B6C21D28 |
-23.23 |
5.09 |
-8.64 |
-0.3 |
0 |
|
|
365179 |
127316996 |
1 |
ON6C19H24 |
AB6C19D24 |
30.44 |
4.82 |
-8.83 |
-0.66 |
0 |
|
|
365180 |
127316997 |
1 |
ON6C19H24 |
AB6C19D24 |
33.52 |
6.75 |
-8.62 |
-0.93 |
0 |
|
|
365181 |
127316998 |
1 |
ON5C21H35 |
AB5C21D35 |
-33.63 |
4.25 |
-8.66 |
0.86 |
0 |
|
|
365182 |
127316999 |
1 |
O2N6C19H30 |
A2B6C19D30 |
-35.83 |
4.39 |
-8.81 |
0.59 |
0 |
|
|
365183 |
127317000 |
1 |
ON6C22H28 |
AB6C22D28 |
27.89 |
2.48 |
-8.39 |
0.02 |
0 |
|
|
365184 |
127317001 |
1 |
ON6C19H32 |
AB6C19D32 |
-4.56 |
2.17 |
-8.72 |
0.81 |
0 |
|
|
365185 |
127317002 |
1 |
SN7C20H27 |
AB7C20D27 |
71.44 |
8.57 |
-8.4 |
-0.6 |
0 |
|
|
365186 |
127317003 |
1 |
OSN6C18H26 |
ABC6D18E26 |
12.47 |
1.49 |
-8.84 |
-0.34 |
0 |
|
|
365187 |
127317004 |
1 |
ON5C20H27 |
AB5C20D27 |
0.88 |
2.45 |
-8.47 |
0.22 |
0 |
|
|
365188 |
127317005 |
1 |
SO2N6C17H22 |
AB2C6D17E22 |
-2.56 |
4.29 |
-9.02 |
-0.68 |
0 |
|
|
365189 |
127317006 |
1 |
O2N5C19H31 |
A2B5C19D31 |
-67.1 |
3.12 |
-8.77 |
0.72 |
0 |
|
|
365190 |
127317007 |
1 |
OSN6C20H26 |
ABC6D20E26 |
42.05 |
5.34 |
-8.8 |
-0.66 |
0 |
|
|
365191 |
127317008 |
1 |
O2N5C20H27 |
A2B5C20D27 |
-33.42 |
2.84 |
-8.83 |
0.0 |
0 |