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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
77852 |
49661772 |
1 |
ClSO3N4C23H29 |
ABC3D4E23F29 |
-93.8 |
7.5 |
-8.99 |
-0.56 |
0 |
|
|
77853 |
49661773 |
1 |
ClFSO3N4C23H28 |
ABCD3E4F23G28 |
-142.16 |
3.85 |
-8.91 |
-0.6 |
0 |
|
|
77854 |
49661778 |
1 |
SN4O4C19H30 |
AB4C4D19E30 |
-153.85 |
3.85 |
-8.87 |
-0.58 |
0 |
|
|
77855 |
49661790 |
1 |
SO3N4C23H30 |
AB3C4D23E30 |
-91.82 |
5.93 |
-8.62 |
-0.65 |
0 |
|
|
77856 |
49664947 |
1 |
ClFO2N4H14C18 |
ABC2D4E14F18 |
-60.11 |
5.09 |
-9.13 |
-1.35 |
0 |
|
|
77857 |
49665028 |
1 |
ClFSO2N4H14C19 |
ABCD2E4F14G19 |
2.33 |
6.28 |
-9.39 |
-1.76 |
0 |
|
|
77858 |
49665731 |
1 |
F2O2N5H17C21 |
A2B2C5D17E21 |
-67.23 |
4.34 |
-9.13 |
-1.29 |
0 |
|
|
77859 |
49665783 |
1 |
ON5C21H23 |
AB5C21D23 |
57.88 |
3.42 |
-8.72 |
-1.18 |
0 |
|
|
77860 |
49665790 |
1 |
O3N4C20H22 |
A3B4C20D22 |
-26.99 |
5.64 |
-8.51 |
-1.1 |
0 |
|
|
77861 |
49665805 |
1 |
FON4C19H19 |
ABC4D19E19 |
-9.71 |
3.73 |
-9.0 |
-0.96 |
0 |
|
|
77862 |
49665806 |
1 |
ClON4C19H19 |
ABC4D19E19 |
29.21 |
2.79 |
-9.0 |
-1.06 |
0 |
|
|
77863 |
49665930 |
1 |
ClN4O4H17C21 |
AB4C4D17E21 |
-22.01 |
7.8 |
-8.8 |
-1.13 |
0 |
|
|
77864 |
49665949 |
1 |
ClFSO3N4H16C17 |
ABCD3E4F16G17 |
-90.93 |
4.68 |
-9.18 |
-1.13 |
0 |
|
|
77865 |
49665951 |
1 |
SO3N4C12H16 |
AB3C4D12E16 |
-63.28 |
3.98 |
-9.17 |
-1.14 |
0 |
|
|
77866 |
49665952 |
1 |
SO3N4C15H22 |
AB3C4D15E22 |
-82.22 |
3.74 |
-9.07 |
-1.07 |
0 |
|
|
77867 |
49665992 |
1 |
FSO3N4C19H21 |
ABC3D4E19F21 |
-95.94 |
4.22 |
-9.21 |
-1.16 |
0 |
|
|
77868 |
49665993 |
1 |
FSO3N4C19H21 |
ABC3D4E19F21 |
-92.51 |
3.69 |
-9.2 |
-1.16 |
0 |
|
|
77869 |
49665994 |
1 |
SF2O3N4C19H20 |
AB2C3D4E19F20 |
-143.57 |
3.77 |
-9.29 |
-1.24 |
0 |
|
|
77870 |
49666006 |
1 |
SO3N4C21H26 |
AB3C4D21E26 |
-59.15 |
6.57 |
-9.02 |
-1.02 |
0 |
|
|
77871 |
49666064 |
1 |
ClSO2N4H15C19 |
ABC2D4E15F19 |
48.17 |
4.31 |
-9.66 |
-1.57 |
0 |
|
|
77872 |
49666065 |
1 |
ClSO2N4H15C19 |
ABC2D4E15F19 |
48.37 |
5.65 |
-9.67 |
-1.58 |
0 |
|
|
77873 |
49666067 |
1 |
SF2O2N4H16C20 |
AB2C2D4E16F20 |
-46.84 |
3.98 |
-9.6 |
-1.53 |
0 |
|
|
77874 |
49666068 |
1 |
SO2N4H20C21 |
AB2C4D20E21 |
41.76 |
4.98 |
-9.55 |
-1.37 |
0 |
|
|
77875 |
49666152 |
1 |
FSO2N4H19C21 |
ABC2D4E19F21 |
-8.99 |
3.48 |
-9.41 |
-1.49 |
0 |
|
|
77876 |
49666153 |
1 |
FSO2N4H19C22 |
ABC2D4E19F22 |
10.98 |
2.89 |
-9.19 |
-1.46 |
0 |
|
|
77877 |
49666154 |
1 |
FSO3N4H19C21 |
ABC3D4E19F21 |
-40.03 |
4.96 |
-9.1 |
-1.46 |
0 |
|
|
77878 |
49666155 |
1 |
SF2O2N4H16C20 |
AB2C2D4E16F20 |
-47.57 |
5.85 |
-9.38 |
-1.43 |
0 |
|
|
77879 |
49666283 |
1 |
SN3O4C18H21 |
AB3C4D18E21 |
-132.0 |
4.52 |
-8.77 |
-1.35 |
0 |
|
|
77880 |
49666284 |
1 |
SN3O4C18H21 |
AB3C4D18E21 |
-133.33 |
4.29 |
-8.95 |
-1.31 |
0 |
|
|
77881 |
49666380 |
1 |
SN3O5C22H27 |
AB3C5D22E27 |
-172.98 |
6.1 |
-8.76 |
-1.26 |
0 |
|
|
77882 |
49666400 |
1 |
SN3O4C22H29 |
AB3C4D22E29 |
-139.94 |
4.49 |
-9.2 |
-1.24 |
0 |
|
|
77883 |
49666401 |
1 |
SN3O4C19H29 |
AB3C4D19E29 |
-181.9 |
3.44 |
-9.28 |
-1.07 |
0 |
|
|
77884 |
49666402 |
1 |
SN3O4C17H27 |
AB3C4D17E27 |
-188.78 |
3.59 |
-9.35 |
-1.19 |
0 |
|
|
77885 |
49666408 |
1 |
SN3O6C21H25 |
AB3C6D21E25 |
-196.16 |
5.72 |
-8.75 |
-1.18 |
0 |
|
|
77886 |
49666409 |
1 |
FSN3O4C20H24 |
ABC3D4E20F24 |
-180.06 |
6.82 |
-9.07 |
-1.2 |
0 |
|
|
77887 |
49666410 |
1 |
ClSN3O4C20H24 |
ABC3D4E20F24 |
-147.99 |
4.47 |
-9.21 |
-0.98 |
0 |
|
|
77888 |
49666418 |
1 |
SN3O4C22H29 |
AB3C4D22E29 |
-154.05 |
4.42 |
-8.88 |
-1.26 |
0 |
|
|
77889 |
49666419 |
1 |
SN3O4C21H27 |
AB3C4D21E27 |
-138.99 |
6.24 |
-8.75 |
-1.29 |
0 |
|
|
77890 |
49666420 |
1 |
SN3O4C21H27 |
AB3C4D21E27 |
-142.87 |
4.23 |
-9.04 |
-1.29 |
0 |
|
|
77891 |
49666423 |
1 |
SN3O4C21H27 |
AB3C4D21E27 |
-143.66 |
6.12 |
-8.68 |
-1.3 |
0 |
|
|
77892 |
49666458 |
1 |
SN3O4C16H25 |
AB3C4D16E25 |
-172.93 |
3.67 |
-9.37 |
-1.25 |
0 |
|
|
77893 |
49666466 |
1 |
FSN3O4C20H24 |
ABC3D4E20F24 |
-181.63 |
3.82 |
-9.24 |
-1.25 |
0 |
|
|
77894 |
49666477 |
1 |
SN3O5C20H25 |
AB3C5D20E25 |
-177.95 |
4.54 |
-8.84 |
-1.45 |
0 |
|
|
77895 |
49666478 |
1 |
SN3O5C18H21 |
AB3C5D18E21 |
-155.45 |
8.99 |
-9.02 |
-1.01 |
0 |
|
|
77896 |
49666507 |
1 |
SO3N5H15C16 |
AB3C5D15E16 |
-49.69 |
5.15 |
-8.78 |
-1.94 |
0 |
|
|
77897 |
49666508 |
1 |
FSO3N6H17C18 |
ABC3D6E17F18 |
-68.77 |
7.59 |
-9.26 |
-1.63 |
0 |
|
|
77898 |
49666532 |
1 |
FSN2O3H9C14 |
ABC2D3E9F14 |
-122.77 |
3.04 |
-8.98 |
-1.2 |
0 |
|
|
77899 |
49666535 |
1 |
SN2O5H16C17 |
AB2C5D16E17 |
-150.6 |
1.29 |
-8.41 |
-0.95 |
0 |
|
|
77900 |
49666546 |
1 |
SN2O3H14C16 |
AB2C3D14E16 |
-84.94 |
1.14 |
-8.68 |
-0.96 |
0 |
|
|
77901 |
49666547 |
1 |
ClSN2O3H11C15 |
ABC2D3E11F15 |
-82.46 |
2.45 |
-8.74 |
-1.05 |
0 |
|
|
77902 |
49666758 |
1 |
SO2N4C19H20 |
AB2C4D19E20 |
-13.58 |
2.42 |
-8.72 |
-1.65 |
0 |
|
|
77903 |
49667696 |
1 |
F2O2N5H13C19 |
A2B2C5D13E19 |
-13.78 |
1.46 |
-9.35 |
-1.32 |
0 |
|
|
77904 |
49668401 |
1 |
OSF2N4C26H30 |
ABC2D4E26F30 |
-56.54 |
3.8 |
-8.71 |
-0.99 |
0 |
|
|
77905 |
49669555 |
1 |
FSO3N4H19C20 |
ABC3D4E19F20 |
-93.1 |
5.7 |
-8.68 |
-0.89 |
0 |
|
|
77906 |
49669667 |
1 |
OCl2N3H7C11 |
AB2C3D7E11 |
20.45 |
4.13 |
-9.3 |
-1.31 |
0 |
|
|
77907 |
49670731 |
1 |
O2N4C15H16 |
A2B4C15D16 |
7.33 |
3.95 |
-8.54 |
-0.45 |
0 |
|
|
77908 |
49671357 |
1 |
SN5O5C23H33 |
AB5C5D23E33 |
-124.84 |
5.74 |
-7.88 |
-0.48 |
0 |
|
|
77909 |
49671529 |
1 |
OSCl2N3H15C18 |
ABC2D3E15F18 |
13.88 |
5.29 |
-8.84 |
-0.98 |
0 |
|
|
77910 |
49672361 |
1 |
ClSO3N4H19C24 |
ABC3D4E19F24 |
49.26 |
3.68 |
-8.53 |
-1.62 |
0 |
|
|
77911 |
49674197 |
1 |
O4N5C14H17 |
A4B5C14D17 |
-122.91 |
5.32 |
-9.08 |
-0.82 |
0 |
|
|
77912 |
49674239 |
1 |
SO2N6C26H30 |
AB2C6D26E30 |
29.97 |
7.1 |
-8.17 |
-0.43 |
0 |
|
|
77913 |
49674412 |
1 |
ClO3N7H14C20 |
AB3C7D14E20 |
83.91 |
5.56 |
-9.05 |
-1.43 |
0 |
|
|
77914 |
49674502 |
1 |
BrO2N5H16C25 |
AB2C5D16E25 |
118.22 |
4.2 |
-8.75 |
-1.22 |
0 |
|
|
77915 |
49674511 |
1 |
FOSN2H15C20 |
ABCD2E15F20 |
-1.47 |
1.13 |
-8.8 |
-1.2 |
0 |
|
|
77916 |
49674525 |
1 |
SN3O4C27H27 |
AB3C4D27E27 |
-83.0 |
4.57 |
-8.27 |
-1.02 |
0 |
|
|
77917 |
49674535 |
1 |
N2O5H22C26 |
A2B5C22D26 |
-99.68 |
4.04 |
-8.39 |
-0.63 |
0 |
|
|
77918 |
49674565 |
1 |
NO5H21C22 |
AB5C21D22 |
-166.53 |
3.78 |
-8.97 |
-0.88 |
0 |
|
|
77919 |
49674567 |
1 |
NO5C24H25 |
AB5C24D25 |
-183.37 |
2.82 |
-8.86 |
-0.81 |
0 |
|
|
77920 |
49674568 |
1 |
N2O3H20C24 |
A2B3C20D24 |
-42.57 |
1.99 |
-8.97 |
-0.87 |
0 |
|
|
77921 |
49674599 |
1 |
ClSN2O2F3H10C17 |
ABC2D2E3F10G17 |
-156.47 |
9.98 |
-9.76 |
-1.83 |
0 |
|
|
77922 |
49674655 |
1 |
O3N4C26H28 |
A3B4C26D28 |
-35.34 |
4.82 |
-8.56 |
-1.22 |
0 |
|
|
77923 |
49674668 |
1 |
ClO2N4C25H25 |
AB2C4D25E25 |
2.74 |
10.14 |
-8.58 |
-0.97 |
0 |
|
|
77924 |
49674673 |
1 |
FO2N5C20H20 |
AB2C5D20E20 |
-9.32 |
7.76 |
-8.32 |
-0.88 |
0 |
|
|
77925 |
49674685 |
1 |
FO2N4H15C17 |
AB2C4D15E17 |
-16.89 |
3.1 |
-8.92 |
-1.25 |
0 |
|
|
77926 |
49674686 |
1 |
FO3N4C19H19 |
AB3C4D19E19 |
-58.75 |
3.44 |
-8.33 |
-1.28 |
0 |
|
|
77927 |
49674687 |
1 |
ClFON4H14C17 |
ABCD4E14F17 |
7.56 |
3.57 |
-9.35 |
-1.35 |
0 |
|
|
77928 |
49674688 |
1 |
FON4H15C17 |
ABC4D15E17 |
14.02 |
1.21 |
-9.29 |
-1.27 |
0 |
|
|
77929 |
49674689 |
1 |
OF2N4H12C16 |
AB2C4D12E16 |
-23.89 |
3.06 |
-9.74 |
-1.34 |
0 |
|
|
77930 |
49674690 |
1 |
FO2N4H15C17 |
AB2C4D15E17 |
-16.59 |
2.86 |
-9.02 |
-1.3 |
0 |
|
|
77931 |
49674816 |
1 |
BrO2N4C18H21 |
AB2C4D18E21 |
-41.02 |
4.53 |
-9.02 |
-0.33 |
0 |
|
|
77932 |
49674819 |
1 |
FO2N4C19H23 |
AB2C4D19E23 |
-96.47 |
6.1 |
-8.98 |
-0.23 |
0 |
|
|
77933 |
49674962 |
1 |
ClO2N4C19H23 |
AB2C4D19E23 |
-56.97 |
3.11 |
-8.98 |
-0.29 |
0 |
|
|
77934 |
49675006 |
1 |
SN4O5C24H24 |
AB4C5D24E24 |
-132.13 |
2.65 |
-8.12 |
-0.98 |
0 |
|
|
77935 |
49675007 |
1 |
SO3N4C23H24 |
AB3C4D23E24 |
-43.36 |
4.66 |
-7.94 |
-0.75 |
0 |
|
|
77936 |
49675035 |
1 |
O2N5H25C26 |
A2B5C25D26 |
17.06 |
5.41 |
-8.24 |
-0.53 |
0 |
|
|
77937 |
49675198 |
1 |
SO2N3C22H23 |
AB2C3D22E23 |
-11.87 |
7.09 |
-8.48 |
-0.73 |
0 |
|
|
77938 |
49679095 |
1 |
SO2N3C17H19 |
AB2C3D17E19 |
-28.33 |
2.09 |
-8.89 |
-0.59 |
0 |
|
|
77939 |
49679141 |
1 |
SN4O4H18C20 |
AB4C4D18E20 |
-72.86 |
1.39 |
-8.94 |
-0.98 |
0 |
|
|
77940 |
49679166 |
1 |
NO5C13H21 |
AB5C13D21 |
-234.88 |
1.77 |
-9.99 |
-0.16 |
0 |
|
|
77941 |
49679190 |
1 |
O2S2N3C14H15 |
A2B2C3D14E15 |
-43.99 |
7.8 |
-8.44 |
-0.71 |
0 |
|
|
77942 |
49679316 |
1 |
SO3N4C11H14 |
AB3C4D11E14 |
-98.21 |
10.23 |
-9.44 |
-0.99 |
0 |
|
|
77943 |
49681151 |
1 |
S2O3N6C15H16 |
A2B3C6D15E16 |
-29.14 |
4.92 |
-9.17 |
-1.6 |
0 |
|
|
77944 |
49681152 |
1 |
O2S2N5C12H19 |
A2B2C5D12E19 |
-14.55 |
2.23 |
-8.75 |
-1.02 |
0 |
|
|
77945 |
49681153 |
1 |
OS2N4C14H16 |
AB2C4D14E16 |
45.39 |
2.44 |
-8.85 |
-1.21 |
0 |
|
|
77946 |
49681154 |
1 |
S2O3N5C13H13 |
A2B3C5D13E13 |
58.62 |
9.49 |
-9.12 |
-1.57 |
0 |
|
|
77947 |
49681161 |
1 |
OS2N5C8H9 |
AB2C5D8E9 |
63.84 |
2.51 |
-9.52 |
-1.65 |
0 |
|
|
77948 |
49681162 |
2 |
OSN2C7H7 |
ABC2D7E7 |
24.72 |
3.52 |
-8.92 |
-1.28 |
0 |
|
|
77949 |
49681171 |
1 |
O2S2N5C14H23 |
A2B2C5D14E23 |
-31.42 |
3.23 |
-8.68 |
-0.9 |
0 |
|
|
77950 |
49681177 |
1 |
ClO2S2N5C15H16 |
AB2C2D5E15F16 |
-6.55 |
10.02 |
-8.73 |
-0.89 |
0 |
|
|
77951 |
49681182 |
1 |
ClOS2N4C13H13 |
ABC2D4E13F13 |
44.33 |
0.8 |
-8.98 |
-1.31 |
0 |