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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
72052 |
48415759 |
1 |
ON6C22H28 |
AB6C22D28 |
35.09 |
0.92 |
-9.05 |
-0.22 |
0 |
|
|
72053 |
48415760 |
1 |
O3N4C23H26 |
A3B4C23D26 |
-70.6 |
6.05 |
-8.91 |
-0.37 |
0 |
|
|
72054 |
48415761 |
2 |
ON3C11H12 |
AB3C11D12 |
12.54 |
5.88 |
-8.71 |
-0.72 |
0 |
|
|
72055 |
48415762 |
1 |
O2N5C22H23 |
A2B5C22D23 |
-12.26 |
8.64 |
-9.0 |
-0.42 |
0 |
|
|
72056 |
48415763 |
1 |
SO2N4H22C23 |
AB2C4D22E23 |
9.61 |
1.26 |
-8.99 |
-1.1 |
0 |
|
|
72057 |
48415764 |
1 |
ON6C20H20 |
AB6C20D20 |
82.05 |
4.64 |
-9.13 |
-1.05 |
0 |
|
|
72058 |
48415766 |
1 |
N3O3C22H27 |
A3B3C22D27 |
-68.79 |
6.95 |
-8.16 |
-0.17 |
0 |
|
|
72059 |
48415767 |
1 |
ON3C17H25 |
AB3C17D25 |
-32.89 |
4.0 |
-9.02 |
-0.2 |
0 |
|
|
72060 |
48415768 |
1 |
F2N3O3C20H21 |
A2B3C3D20E21 |
-164.19 |
0.95 |
-8.96 |
-0.68 |
0 |
|
|
72061 |
48415769 |
1 |
ON3C21H25 |
AB3C21D25 |
3.82 |
4.85 |
-9.08 |
-0.26 |
0 |
|
|
72062 |
48415770 |
1 |
OSN3C20H23 |
ABC3D20E23 |
4.19 |
5.88 |
-8.65 |
-0.55 |
0 |
|
|
72063 |
48415771 |
1 |
ON4C22H24 |
AB4C22D24 |
19.86 |
6.29 |
-8.55 |
-0.23 |
0 |
|
|
72064 |
48415772 |
1 |
ClN3O3C21H24 |
AB3C3D21E24 |
-67.68 |
5.57 |
-8.71 |
-0.33 |
0 |
|
|
72065 |
48415773 |
1 |
O3N4C19H20 |
A3B4C19D20 |
11.42 |
9.12 |
-8.89 |
-1.34 |
0 |
|
|
72066 |
48415775 |
2 |
ON2C11H12 |
AB2C11D12 |
-26.32 |
6.68 |
-8.93 |
-0.28 |
0 |
|
|
72067 |
48415778 |
1 |
ON6C18H18 |
AB6C18D18 |
73.82 |
9.05 |
-8.52 |
-1.51 |
0 |
|
|
72068 |
48415779 |
1 |
SO3N4C21H26 |
AB3C4D21E26 |
-72.08 |
3.98 |
-8.99 |
-0.27 |
0 |
|
|
72069 |
48415780 |
1 |
SO2N4C22H26 |
AB2C4D22E26 |
-23.14 |
5.14 |
-8.98 |
-0.29 |
0 |
|
|
72070 |
48415781 |
1 |
O2N5C16H17 |
A2B5C16D17 |
-2.94 |
5.27 |
-8.72 |
-1.36 |
0 |
|
|
72071 |
48415782 |
1 |
O3N4C22H26 |
A3B4C22D26 |
-70.82 |
5.59 |
-9.0 |
-0.21 |
0 |
|
|
72072 |
48415783 |
1 |
O2N4C21H24 |
A2B4C21D24 |
-29.28 |
5.59 |
-8.95 |
-0.45 |
0 |
|
|
72073 |
48415784 |
1 |
N3O3C23H27 |
A3B3C23D27 |
-72.53 |
9.24 |
-8.51 |
-0.33 |
0 |
|
|
72074 |
48415785 |
1 |
O2N3C22H25 |
A2B3C22D25 |
-28.39 |
3.26 |
-8.54 |
-0.14 |
0 |
|
|
72075 |
48415786 |
1 |
ClO2N3C19H20 |
AB2C3D19E20 |
-27.0 |
6.46 |
-9.08 |
-0.46 |
0 |
|
|
72076 |
48415787 |
1 |
SO2N4C20H20 |
AB2C4D20E20 |
-23.95 |
6.25 |
-8.71 |
-1.08 |
0 |
|
|
72077 |
48415788 |
1 |
O2N5C21H21 |
A2B5C21D21 |
-2.59 |
2.99 |
-8.95 |
-0.97 |
0 |
|
|
72078 |
48415789 |
1 |
ClO2N4C21H23 |
AB2C4D21E23 |
-39.53 |
2.4 |
-9.02 |
-0.7 |
0 |
|
|
72079 |
48415790 |
1 |
O2N3C17H19 |
A2B3C17D19 |
-17.17 |
3.38 |
-8.93 |
-0.16 |
0 |
|
|
72080 |
48415791 |
1 |
O2N3C21H21 |
A2B3C21D21 |
-0.97 |
2.68 |
-9.01 |
-0.71 |
0 |
|
|
72081 |
48415792 |
1 |
O3N4C24H26 |
A3B4C24D26 |
-14.22 |
6.13 |
-9.09 |
-0.27 |
0 |
|
|
72082 |
48415793 |
1 |
O3N5C21H21 |
A3B5C21D21 |
-34.61 |
2.9 |
-8.85 |
-1.24 |
0 |
|
|
72083 |
48415794 |
1 |
O3N4C24H26 |
A3B4C24D26 |
-14.61 |
2.09 |
-8.87 |
-0.29 |
0 |
|
|
72084 |
48415795 |
1 |
SO2N4C21H22 |
AB2C4D21E22 |
-24.25 |
8.28 |
-8.86 |
-0.8 |
0 |
|
|
72085 |
48415796 |
1 |
OSN3H21C22 |
ABC3D21E22 |
51.87 |
5.25 |
-8.98 |
-0.7 |
0 |
|
|
72086 |
48415797 |
1 |
ClO2N3H20C21 |
AB2C3D20E21 |
-12.56 |
6.13 |
-8.65 |
-1.17 |
0 |
|
|
72087 |
48415798 |
1 |
O2N3C23H25 |
A2B3C23D25 |
-20.33 |
5.94 |
-8.8 |
-0.48 |
0 |
|
|
72088 |
48415799 |
1 |
ClN3O3C20H22 |
AB3C3D20E22 |
-61.38 |
5.12 |
-8.78 |
-0.4 |
0 |
|
|
72089 |
48415800 |
1 |
N3O3C24H29 |
A3B3C24D29 |
-76.55 |
3.52 |
-8.87 |
-0.05 |
0 |
|
|
72090 |
48415801 |
1 |
O3N5C22H25 |
A3B5C22D25 |
-84.01 |
3.97 |
-8.94 |
-0.24 |
0 |
|
|
72091 |
48415802 |
1 |
OSN4C22H22 |
ABC4D22E22 |
46.72 |
4.18 |
-8.86 |
-1.12 |
0 |
|
|
72092 |
48415803 |
1 |
ON4C24H26 |
AB4C24D26 |
20.59 |
5.43 |
-8.39 |
-0.19 |
0 |
|
|
72093 |
48415804 |
1 |
SO2N3H21C23 |
AB2C3D21E23 |
12.58 |
1.99 |
-8.75 |
-1.14 |
0 |
|
|
72094 |
48415805 |
1 |
OSN3C21H25 |
ABC3D21E25 |
4.59 |
2.44 |
-8.76 |
-0.12 |
0 |
|
|
72095 |
48415806 |
1 |
OSN3C19H23 |
ABC3D19E23 |
7.95 |
3.41 |
-8.87 |
-0.1 |
0 |
|
|
72096 |
48415807 |
1 |
OSN3C19H23 |
ABC3D19E23 |
3.41 |
4.87 |
-9.09 |
-0.49 |
0 |
|
|
72097 |
48415808 |
1 |
OSN3C20H23 |
ABC3D20E23 |
14.99 |
3.53 |
-8.6 |
-0.3 |
0 |
|
|
72098 |
48415809 |
1 |
ON4H18C19 |
AB4C18D19 |
50.25 |
6.66 |
-8.72 |
-1.16 |
0 |
|
|
72099 |
48415811 |
1 |
ON3C19H27 |
AB3C19D27 |
-34.17 |
3.9 |
-9.02 |
-0.19 |
0 |
|
|
72100 |
48415812 |
1 |
O3N4C22H24 |
A3B4C22D24 |
-58.15 |
3.06 |
-8.92 |
-0.28 |
0 |
|
|
72101 |
48415813 |
1 |
ClON3C19H20 |
ABC3D19E20 |
4.59 |
1.85 |
-8.99 |
-0.18 |
0 |
|
|
72102 |
48415814 |
1 |
N3O3C21H23 |
A3B3C21D23 |
-61.22 |
5.42 |
-8.79 |
-0.09 |
0 |
|
|
72103 |
48415815 |
2 |
ON2C12H15 |
AB2C12D15 |
-54.46 |
6.81 |
-8.57 |
-0.49 |
0 |
|
|
72104 |
48415816 |
1 |
OF3N5H20C21 |
AB3C5D20E21 |
-105.3 |
11.8 |
-9.02 |
-0.58 |
0 |
|
|
72105 |
48415817 |
1 |
O2N3C23H27 |
A2B3C23D27 |
-40.11 |
4.92 |
-9.13 |
-0.3 |
0 |
|
|
72106 |
48415818 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-56.48 |
2.35 |
-8.9 |
-0.1 |
0 |
|
|
72107 |
48415819 |
1 |
O3N4C19H20 |
A3B4C19D20 |
8.16 |
4.45 |
-9.03 |
-1.53 |
0 |
|
|
72108 |
48415820 |
1 |
O2N3C21H25 |
A2B3C21D25 |
-32.01 |
5.2 |
-8.56 |
-0.29 |
0 |
|
|
72109 |
48415821 |
1 |
BrO2N3C19H20 |
AB2C3D19E20 |
-14.56 |
5.92 |
-9.0 |
-0.45 |
0 |
|
|
72110 |
48415822 |
1 |
N3O3C22H27 |
A3B3C22D27 |
-67.61 |
8.01 |
-8.43 |
0.01 |
0 |
|
|
72111 |
48415823 |
1 |
ON7C19H19 |
AB7C19D19 |
107.87 |
8.17 |
-9.26 |
-1.36 |
0 |
|
|
72112 |
48415824 |
1 |
O2N3C21H25 |
A2B3C21D25 |
-35.14 |
6.5 |
-8.63 |
-0.13 |
0 |
|
|
72113 |
48415825 |
1 |
BrON3C18H18 |
ABC3D18E18 |
24.26 |
5.75 |
-9.09 |
-0.52 |
0 |
|
|
72114 |
48415826 |
1 |
OF2N3H17C18 |
AB2C3D17E18 |
-71.5 |
6.91 |
-9.16 |
-0.55 |
0 |
|
|
72115 |
48415827 |
1 |
O2N3C21H25 |
A2B3C21D25 |
-28.79 |
5.69 |
-8.8 |
0.02 |
0 |
|
|
72116 |
48415828 |
1 |
SN3O3C21H23 |
AB3C3D21E23 |
-54.62 |
5.86 |
-8.84 |
-0.64 |
0 |
|
|
72117 |
48415829 |
1 |
N3O3C23H29 |
A3B3C23D29 |
-74.83 |
5.79 |
-8.62 |
-0.16 |
0 |
|
|
72118 |
48415830 |
1 |
ClON5C22H22 |
ABC5D22E22 |
56.91 |
5.05 |
-9.05 |
-0.77 |
0 |
|
|
72119 |
48415831 |
2 |
ON2C10H11 |
AB2C10D11 |
-30.7 |
6.52 |
-8.88 |
-0.38 |
0 |
|
|
72120 |
48415832 |
1 |
ON4C23H26 |
AB4C23D26 |
19.64 |
4.18 |
-8.43 |
-0.11 |
0 |
|
|
72121 |
48415833 |
1 |
SO3N4C20H24 |
AB3C4D20E24 |
-53.15 |
6.47 |
-8.89 |
-0.91 |
0 |
|
|
72122 |
48415834 |
1 |
ON3C19H21 |
AB3C19D21 |
11.6 |
4.14 |
-8.89 |
-0.09 |
0 |
|
|
72123 |
48415835 |
2 |
ON2C12H15 |
AB2C12D15 |
-48.36 |
4.52 |
-8.91 |
-0.26 |
0 |
|
|
72124 |
48415836 |
1 |
N3O3C22H27 |
A3B3C22D27 |
-68.95 |
3.3 |
-8.46 |
-0.12 |
0 |
|
|
72125 |
48415837 |
1 |
O3N4C21H26 |
A3B4C21D26 |
-67.88 |
3.55 |
-8.98 |
-0.31 |
0 |
|
|
72126 |
48415838 |
1 |
N3O3C23H29 |
A3B3C23D29 |
-72.54 |
2.42 |
-8.53 |
-0.23 |
0 |
|
|
72127 |
48415839 |
1 |
O2N3C19H21 |
A2B3C19D21 |
-17.51 |
2.33 |
-8.98 |
-0.25 |
0 |
|
|
72128 |
48415840 |
1 |
ON3H21C22 |
AB3C21D22 |
38.1 |
4.07 |
-9.1 |
-0.69 |
0 |
|
|
72129 |
48415841 |
1 |
F2O2N3C19H19 |
A2B2C3D19E19 |
-124.03 |
2.83 |
-9.06 |
-0.54 |
0 |
|
|
72130 |
48415842 |
1 |
BrO2N3C16H16 |
AB2C3D16E16 |
-10.26 |
4.55 |
-9.31 |
-0.89 |
0 |
|
|
72131 |
48415843 |
2 |
ON2C12H15 |
AB2C12D15 |
-46.4 |
2.84 |
-9.04 |
-0.22 |
0 |
|
|
72132 |
48415844 |
1 |
O2N3C20H23 |
A2B3C20D23 |
-27.27 |
3.18 |
-8.94 |
-0.12 |
0 |
|
|
72133 |
48415845 |
1 |
N3O3C21H25 |
A3B3C21D25 |
-63.56 |
4.05 |
-8.94 |
-0.12 |
0 |
|
|
72134 |
48415846 |
1 |
ON3C20H23 |
AB3C20D23 |
8.52 |
7.03 |
-8.86 |
-0.04 |
0 |
|
|
72135 |
48415847 |
1 |
ON3C18H25 |
AB3C18D25 |
-31.9 |
7.67 |
-8.55 |
0.24 |
0 |
|
|
72136 |
48415848 |
1 |
ON4C21H22 |
AB4C21D22 |
29.54 |
3.51 |
-8.61 |
-0.17 |
0 |
|
|
72137 |
48415849 |
1 |
ON3C21H25 |
AB3C21D25 |
2.82 |
6.47 |
-9.15 |
-0.36 |
0 |
|
|
72138 |
48415850 |
1 |
N3O3C23H27 |
A3B3C23D27 |
-72.35 |
5.06 |
-8.99 |
-0.41 |
0 |
|
|
72139 |
48415852 |
1 |
ON5C16H17 |
AB5C16D17 |
47.15 |
5.16 |
-9.14 |
-1.01 |
0 |
|
|
72140 |
48415853 |
1 |
N3O3C19H19 |
A3B3C19D19 |
-46.46 |
7.23 |
-8.63 |
-0.66 |
0 |
|
|
72141 |
48415855 |
1 |
O2N3C19H21 |
A2B3C19D21 |
-18.43 |
0.83 |
-9.01 |
-0.19 |
0 |
|
|
72142 |
48415856 |
1 |
ION3C18H18 |
ABC3D18E18 |
38.6 |
6.32 |
-9.23 |
-0.84 |
0 |
|
|
72143 |
48415857 |
1 |
N3O4C21H25 |
A3B4C21D25 |
-91.13 |
3.16 |
-8.94 |
-0.18 |
0 |
|
|
72144 |
48415858 |
1 |
ClON4C17H17 |
ABC4D17E17 |
21.65 |
5.02 |
-8.74 |
-1.16 |
0 |
|
|
72145 |
48415859 |
1 |
ON4H18C19 |
AB4C18D19 |
53.92 |
5.36 |
-9.01 |
-1.02 |
0 |
|
|
72146 |
48415861 |
1 |
ON3C19H21 |
AB3C19D21 |
10.8 |
2.38 |
-9.07 |
-0.24 |
0 |
|
|
72147 |
48415862 |
1 |
BrON4C17H17 |
ABC4D17E17 |
32.36 |
6.26 |
-8.72 |
-1.24 |
0 |
|
|
72148 |
48415864 |
1 |
ClO3N4H17C18 |
AB3C4D17E18 |
9.92 |
3.9 |
-9.16 |
-1.92 |
0 |
|
|
72149 |
48415865 |
1 |
OCl2N3H17C18 |
AB2C3D17E18 |
2.49 |
7.39 |
-8.64 |
-1.0 |
0 |
|
|
72150 |
48415866 |
1 |
OCl2N3H17C18 |
AB2C3D17E18 |
3.62 |
5.29 |
-9.14 |
-0.66 |
0 |
|
|
72151 |
48415867 |
1 |
OCl2N3H17C18 |
AB2C3D17E18 |
3.17 |
1.77 |
-8.96 |
-0.84 |
0 |