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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
88998 |
49958619 |
1 |
ClN2O3H17C18 |
AB2C3D17E18 |
-27.52 |
2.4 |
-8.98 |
-0.92 |
0 |
|
|
88999 |
49958624 |
1 |
ClN2O4H15C17 |
AB2C4D15E17 |
-49.0 |
5.27 |
-8.89 |
-0.95 |
0 |
|
|
89000 |
49958629 |
1 |
ClN2O2H11C12 |
AB2C2D11E12 |
9.12 |
2.87 |
-9.19 |
-0.67 |
0 |
|
|
89001 |
49958630 |
1 |
ClN2O2C15H17 |
AB2C2D15E17 |
-30.44 |
4.01 |
-9.15 |
-0.62 |
0 |
|
|
89002 |
49958631 |
1 |
BrClN2O3H12C16 |
ABC2D3E12F16 |
-9.29 |
4.13 |
-9.27 |
-1.23 |
0 |
|
|
89003 |
49958639 |
1 |
ClN2O2H15C18 |
AB2C2D15E18 |
22.77 |
6.33 |
-9.09 |
-1.22 |
0 |
|
|
89004 |
49958645 |
1 |
ClSN2O2H11C15 |
ABC2D2E11F15 |
37.99 |
5.2 |
-9.14 |
-1.56 |
0 |
|
|
89005 |
49958681 |
1 |
ClSN2O2H11C14 |
ABC2D2E11F14 |
15.01 |
5.25 |
-8.94 |
-1.43 |
0 |
|
|
89006 |
49958688 |
1 |
OSN2C9H10 |
ABC2D9E10 |
24.68 |
4.16 |
-9.49 |
-1.17 |
0 |
|
|
89007 |
49958706 |
1 |
ClO2N3H10C14 |
AB2C3D10E14 |
35.34 |
4.69 |
-9.29 |
-1.49 |
0 |
|
|
89008 |
49958720 |
1 |
Cl2N2O2C15H16 |
A2B2C2D15E16 |
-36.51 |
2.25 |
-9.27 |
-0.72 |
0 |
|
|
89009 |
49958721 |
1 |
BrCl2N2O3H11C16 |
AB2C2D3E11F16 |
-16.18 |
2.25 |
-9.32 |
-1.24 |
0 |
|
|
89010 |
49958727 |
1 |
Cl2N3O4H9C15 |
A2B3C4D9E15 |
12.34 |
6.99 |
-9.46 |
-1.89 |
0 |
|
|
89011 |
49958739 |
1 |
N2O3Cl4H14C18 |
A2B3C4D14E18 |
-52.56 |
4.26 |
-9.16 |
-0.95 |
0 |
|
|
89012 |
49958740 |
1 |
BrCl2N2O3H11C16 |
AB2C2D3E11F16 |
-21.76 |
5.0 |
-9.25 |
-1.14 |
0 |
|
|
89013 |
49958743 |
1 |
BrCl2N2O3H13C17 |
AB2C2D3E13F17 |
-25.13 |
3.45 |
-9.13 |
-0.99 |
0 |
|
|
89014 |
49958745 |
1 |
N2Cl3O3H11C16 |
A2B3C3D11E16 |
-31.06 |
1.43 |
-9.26 |
-1.27 |
0 |
|
|
89015 |
49958750 |
1 |
Cl2N2O3H14C18 |
A2B2C3D14E18 |
-15.16 |
5.55 |
-8.94 |
-1.22 |
0 |
|
|
89016 |
49958751 |
1 |
Cl2N2O3H14C17 |
A2B2C3D14E17 |
-31.45 |
2.36 |
-8.94 |
-0.9 |
0 |
|
|
89017 |
49958753 |
1 |
Cl2N2O4H14C17 |
A2B2C4D14E17 |
-55.12 |
2.16 |
-8.87 |
-1.17 |
0 |
|
|
89018 |
49958754 |
2 |
ClNOH5C6 |
ABCD5E6 |
2.79 |
5.07 |
-9.2 |
-0.89 |
0 |
|
|
89019 |
49958759 |
1 |
BrClN2O2H12C16 |
ABC2D2E12F16 |
16.18 |
4.59 |
-9.05 |
-1.39 |
0 |
|
|
89020 |
49958764 |
1 |
ClO2N3H12C15 |
AB2C3D12E15 |
25.12 |
1.59 |
-9.22 |
-1.49 |
0 |
|
|
89021 |
49958765 |
1 |
ClN2O2H15C17 |
AB2C2D15E17 |
9.74 |
4.3 |
-8.98 |
-1.18 |
0 |
|
|
89022 |
49958772 |
1 |
O2N3H13C16 |
A2B3C13D16 |
47.05 |
7.41 |
-9.05 |
-1.37 |
0 |
|
|
89023 |
49958787 |
1 |
BrO2N3H10C14 |
AB2C3D10E14 |
38.22 |
4.81 |
-9.29 |
-1.46 |
0 |
|
|
89024 |
49958792 |
1 |
Br2O2N3H9C14 |
A2B2C3D9E14 |
50.14 |
3.75 |
-9.44 |
-1.61 |
0 |
|
|
89025 |
49958793 |
1 |
N3O3H13C15 |
A3B3C13D15 |
5.76 |
5.51 |
-8.81 |
-1.34 |
0 |
|
|
89026 |
49958794 |
1 |
BrClN2O2H14C17 |
ABC2D2E14F17 |
6.07 |
5.06 |
-9.37 |
-1.27 |
0 |
|
|
89027 |
49958795 |
1 |
ClN2O2H17C22 |
AB2C2D17E22 |
47.08 |
4.01 |
-9.21 |
-0.59 |
0 |
|
|
89028 |
49958803 |
1 |
BrIN2O3H12C16 |
ABC2D3E12F16 |
8.71 |
4.89 |
-9.2 |
-1.23 |
0 |
|
|
89029 |
49958807 |
1 |
BrIN2O2H12C16 |
ABC2D2E12F16 |
32.05 |
1.69 |
-9.03 |
-1.21 |
0 |
|
|
89030 |
49958809 |
1 |
BrIN2O3H14C17 |
ABC2D3E14F17 |
-1.47 |
2.89 |
-9.14 |
-1.12 |
0 |
|
|
89031 |
49958810 |
1 |
IN2O2C19H19 |
AB2C2D19E19 |
15.16 |
2.87 |
-8.91 |
-1.04 |
0 |
|
|
89032 |
49958812 |
1 |
BrIN2O3H14C17 |
ABC2D3E14F17 |
0.38 |
5.16 |
-9.03 |
-1.23 |
0 |
|
|
89033 |
49958817 |
2 |
INOH6C8 |
ABCD6E8 |
46.4 |
1.83 |
-9.02 |
-1.19 |
0 |
|
|
89034 |
49958834 |
2 |
NOC9H9 |
ABC9D9 |
11.18 |
5.24 |
-9.01 |
-0.49 |
0 |
|
|
89035 |
49958836 |
2 |
NOH8C9 |
ABC8D9 |
29.12 |
6.78 |
-8.93 |
-0.93 |
0 |
|
|
89036 |
49958837 |
2 |
NOH9C11 |
ABC9D11 |
47.18 |
3.8 |
-8.88 |
-0.61 |
0 |
|
|
89037 |
49958838 |
2 |
ClNOH8C9 |
ABCD8E9 |
-9.88 |
3.89 |
-9.09 |
-0.57 |
0 |
|
|
89038 |
49958839 |
1 |
BrN2O2H13C16 |
AB2C2D13E16 |
20.54 |
6.77 |
-9.14 |
-0.96 |
0 |
|
|
89039 |
49958841 |
1 |
ON2H16C20 |
AB2C16D20 |
68.69 |
4.21 |
-9.01 |
-0.62 |
0 |
|
|
89040 |
49958862 |
1 |
Br2N2O2H14C17 |
A2B2C2D14E17 |
20.06 |
3.94 |
-9.58 |
-0.79 |
0 |
|
|
89041 |
49958869 |
1 |
BrN2O2H15C17 |
AB2C2D15E17 |
15.24 |
4.17 |
-9.14 |
-0.74 |
0 |
|
|
89042 |
49958878 |
1 |
IN2O2C12H13 |
AB2C2D12E13 |
-4.18 |
2.97 |
-9.1 |
-1.05 |
0 |
|
|
89043 |
49958882 |
1 |
N2O3H22C25 |
A2B3C22D25 |
23.57 |
7.46 |
-8.51 |
-1.05 |
0 |
|
|
89044 |
49958897 |
1 |
ON2H24C25 |
AB2C24D25 |
62.31 |
4.87 |
-9.28 |
-0.76 |
0 |
|
|
89045 |
49958918 |
1 |
N2O4H18C21 |
A2B4C18D21 |
-23.62 |
3.14 |
-8.56 |
-0.69 |
0 |
|
|
89046 |
49958924 |
1 |
BrN2O3H17C21 |
AB2C3D17E21 |
5.56 |
5.35 |
-8.82 |
-0.9 |
0 |
|
|
89047 |
49958964 |
2 |
NO2C10H10 |
AB2C10D10 |
-47.32 |
4.88 |
-8.47 |
-0.9 |
0 |
|
|
89048 |
49958965 |
1 |
BrN2O3C19H19 |
AB2C3D19E19 |
-28.68 |
5.01 |
-8.99 |
-0.61 |
0 |
|
|
89049 |
49958967 |
1 |
ON2H16C17 |
AB2C16D17 |
47.95 |
4.31 |
-9.62 |
-0.22 |
0 |
|
|
89050 |
49958968 |
1 |
ON2H16C18 |
AB2C16D18 |
74.78 |
3.96 |
-9.52 |
-0.33 |
0 |
|
|
89051 |
49958969 |
1 |
ON2C21H22 |
AB2C21D22 |
35.94 |
4.05 |
-9.59 |
-0.14 |
0 |
|
|
89052 |
49958995 |
1 |
Br2N2O3H16C21 |
A2B2C3D16E21 |
8.6 |
3.56 |
-8.92 |
-1.1 |
0 |
|
|
89053 |
49959005 |
2 |
NOH9C11 |
ABC9D11 |
49.56 |
5.09 |
-8.72 |
-1.13 |
0 |
|
|
89054 |
49959016 |
1 |
Cl2N2O3H18C22 |
A2B2C3D18E22 |
-22.92 |
3.38 |
-8.96 |
-0.75 |
0 |
|
|
89055 |
49959020 |
1 |
BrN2O3H19C22 |
AB2C3D19E22 |
-4.55 |
3.44 |
-9.01 |
-0.88 |
0 |
|
|
89056 |
49959021 |
1 |
N2O3H16C20 |
A2B3C16D20 |
7.13 |
6.36 |
-8.73 |
-0.95 |
0 |
|
|
89057 |
49959022 |
1 |
IN2O3H15C17 |
AB2C3D15E17 |
-7.24 |
2.5 |
-8.9 |
-1.02 |
0 |
|
|
89058 |
49959023 |
1 |
BrN2O3H17C21 |
AB2C3D17E21 |
10.24 |
5.36 |
-8.76 |
-0.98 |
0 |
|
|
89059 |
49959067 |
1 |
N2O3H6C7 |
A2B3C6D7 |
-20.2 |
2.37 |
-9.3 |
-0.94 |
0 |
|
|
89060 |
49959073 |
1 |
N2O3C13H16 |
A2B3C13D16 |
-46.49 |
3.02 |
-8.82 |
-0.55 |
0 |
|
|
89061 |
49959074 |
1 |
IN2O3H9C10 |
AB2C3D9E10 |
-17.74 |
1.1 |
-8.98 |
-1.01 |
0 |
|
|
89062 |
49959076 |
1 |
N2O3C11H12 |
A2B3C11D12 |
-38.55 |
2.79 |
-8.98 |
-0.55 |
0 |
|
|
89063 |
49959077 |
1 |
N2O3C12H14 |
A2B3C12D14 |
-46.26 |
3.04 |
-8.7 |
-0.55 |
0 |
|
|
89064 |
49959104 |
1 |
N2O4C13H14 |
A2B4C13D14 |
-58.22 |
3.47 |
-8.48 |
-0.8 |
0 |
|
|
89065 |
49959105 |
1 |
N2O2C11H12 |
A2B2C11D12 |
-6.99 |
2.49 |
-9.56 |
-0.24 |
0 |
|
|
89066 |
49959112 |
2 |
NOC6H6 |
ABC6D6 |
8.08 |
3.5 |
-8.97 |
-0.9 |
0 |
|
|
89067 |
49959119 |
1 |
Br2N2O3H8C10 |
A2B2C3D8E10 |
-20.14 |
4.36 |
-9.29 |
-0.81 |
0 |
|
|
89068 |
49959120 |
1 |
N2O4C11H12 |
A2B4C11D12 |
-64.22 |
3.02 |
-8.74 |
-0.42 |
0 |
|
|
89069 |
49959133 |
1 |
N2O3H14C16 |
A2B3C14D16 |
0.11 |
3.9 |
-9.07 |
-1.38 |
0 |
|
|
89070 |
49959135 |
1 |
BrN2O3C19H19 |
AB2C3D19E19 |
-21.5 |
5.86 |
-9.07 |
-0.92 |
0 |
|
|
89071 |
49959137 |
1 |
BrN3O4H12C19 |
AB3C4D12E19 |
49.61 |
2.61 |
-8.9 |
-1.83 |
0 |
|
|
89072 |
49959138 |
1 |
BrN4O6H11C19 |
AB4C6D11E19 |
50.91 |
7.02 |
-9.06 |
-2.38 |
0 |