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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
307676 |
125308012 |
1 |
NO2F3H6C10 |
AB2C3D6E10 |
-175.93 |
1.39 |
-10.03 |
-1.29 |
0 |
|
|
307677 |
125308013 |
1 |
NO2F3H6C10 |
AB2C3D6E10 |
-176.13 |
3.07 |
-9.94 |
-1.2 |
0 |
|
|
307678 |
125308014 |
1 |
O3N5C24H31 |
A3B5C24D31 |
-55.01 |
5.14 |
-8.98 |
-1.25 |
0 |
|
|
307679 |
125308016 |
1 |
O3N5C24H31 |
A3B5C24D31 |
-54.15 |
5.14 |
-8.96 |
-1.2 |
0 |
|
|
307680 |
125308018 |
1 |
Cl2O5N10C28H38 |
A2B5C10D28E38 |
-138.9 |
3.63 |
-9.0 |
-0.9 |
0 |
|
|
307682 |
125308046 |
1 |
F2N3O5C34H39 |
A2B3C5D34E39 |
-260.01 |
3.0 |
-8.97 |
-0.53 |
0 |
|
|
307683 |
125308047 |
1 |
O2N5C21H25 |
A2B5C21D25 |
4.21 |
8.81 |
-9.16 |
-1.44 |
0 |
|
|
307684 |
125308049 |
1 |
ON8C22H24 |
AB8C22D24 |
106.78 |
5.86 |
-9.05 |
-1.09 |
0 |
|
|
307686 |
125308096 |
1 |
N2S2O3C27H28 |
A2B2C3D27E28 |
-43.4 |
5.79 |
-8.51 |
-1.12 |
0 |
|
|
307687 |
125308097 |
1 |
N2S2O3C27H28 |
A2B2C3D27E28 |
-45.86 |
2.75 |
-8.69 |
-1.44 |
0 |
|
|
307688 |
125308103 |
1 |
SO2N5C16H27 |
AB2C5D16E27 |
-32.51 |
6.84 |
-8.52 |
-1.12 |
0 |
|
|
307689 |
125308105 |
1 |
ClO2N3H10C11 |
AB2C3D10E11 |
-48.82 |
5.02 |
-9.17 |
-1.09 |
0 |
|
|
307690 |
125308120 |
1 |
N3O5C16H19 |
A3B5C16D19 |
-161.82 |
4.82 |
-9.22 |
-1.25 |
0 |
|
|
307691 |
125308126 |
1 |
OF4N6H16C19 |
AB4C6D16E19 |
-114.99 |
6.07 |
-9.48 |
-1.76 |
0 |
|
|
307692 |
125308130 |
1 |
NO3H17C20 |
AB3C17D20 |
-49.32 |
3.91 |
-9.46 |
-0.99 |
0 |
|
|
307693 |
125308131 |
1 |
O2N5C22H25 |
A2B5C22D25 |
24.43 |
4.85 |
-9.06 |
-1.52 |
0 |
|
|
307694 |
125308158 |
1 |
N3O3C16H17 |
A3B3C16D17 |
-52.68 |
4.13 |
-9.51 |
-1.37 |
0 |
|
|
307695 |
125308171 |
1 |
O2N6C27H28 |
A2B6C27D28 |
34.22 |
7.85 |
-8.81 |
-1.22 |
0 |
|
|
307696 |
125308180 |
1 |
ClSN3O3H10C11 |
ABC3D3E10F11 |
-53.04 |
2.16 |
-9.12 |
-1.99 |
0 |
|
|
307697 |
125308181 |
1 |
ClSN3O3H10C11 |
ABC3D3E10F11 |
-52.41 |
2.6 |
-9.14 |
-2.04 |
0 |
|
|
307698 |
125308201 |
1 |
SO2N5C21H27 |
AB2C5D21E27 |
-30.15 |
6.19 |
-8.89 |
-0.93 |
0 |
|
|
307699 |
125308202 |
1 |
O3N5C20H25 |
A3B5C20D25 |
11.53 |
2.61 |
-8.55 |
-1.07 |
0 |
|
|
307700 |
125308226 |
1 |
NO10H23C30 |
AB10C23D30 |
-284.25 |
4.99 |
-9.01 |
-1.47 |
0 |
|
|
307702 |
125308240 |
2 |
NO7C26H29 |
AB7C26D29 |
-407.2 |
7.13 |
-7.75 |
-1.55 |
0 |
|
|
307703 |
125308248 |
1 |
ClN2O3C20H23 |
AB2C3D20E23 |
-78.27 |
3.99 |
-9.68 |
-1.68 |
0 |
|
|
307704 |
125308257 |
1 |
N2O7C24H24 |
A2B7C24D24 |
-223.73 |
1.65 |
-9.06 |
-1.34 |
0 |
|
|
307705 |
125308274 |
1 |
ClN3O3H16C19 |
AB3C3D16E19 |
-19.16 |
4.62 |
-9.64 |
-1.92 |
0 |
|
|
307706 |
125308304 |
1 |
ClN4O4C23H25 |
AB4C4D23E25 |
-105.23 |
2.36 |
-8.98 |
-1.03 |
0 |
|
|
307707 |
125308323 |
1 |
FO3N8H25C26 |
AB3C8D25E26 |
-11.04 |
3.3 |
-8.63 |
-1.06 |
0 |
|
|
307708 |
125308337 |
1 |
ClO3N5H18C21 |
AB3C5D18E21 |
-25.89 |
6.8 |
-8.47 |
-1.35 |
0 |
|
|
307709 |
125308349 |
1 |
N2O5C29H44 |
A2B5C29D44 |
-218.21 |
4.44 |
-9.35 |
-0.52 |
0 |
|
|
307710 |
125308354 |
1 |
N2O2C15H18 |
A2B2C15D18 |
-30.87 |
3.74 |
-8.84 |
-0.48 |
0 |
|
|
307711 |
125308370 |
2 |
N2O2C9H10 |
A2B2C9D10 |
-66.86 |
5.23 |
-9.12 |
-1.53 |
0 |
|
|
307712 |
125308446 |
1 |
OSI2N4C15H16 |
ABC2D4E15F16 |
117.63 |
4.87 |
-9.17 |
-2.42 |
0 |
|
|
307713 |
125308460 |
1 |
ON6C15H20 |
AB6C15D20 |
29.74 |
5.5 |
-8.93 |
-0.81 |
0 |
|
|
307714 |
125308534 |
1 |
SN4O8C38H46 |
AB4C8D38E46 |
-188.04 |
2.65 |
-8.14 |
-0.98 |
0 |
|
|
307715 |
125308547 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-4.7 |
4.48 |
-8.56 |
-0.47 |
0 |
|
|
307716 |
125308557 |
1 |
SO4N9H27C30 |
AB4C9D27E30 |
88.01 |
9.28 |
-8.34 |
-1.6 |
0 |
|
|
307717 |
125308562 |
1 |
O2N7C20H23 |
A2B7C20D23 |
31.36 |
6.87 |
-9.35 |
-0.56 |
0 |
|
|
307718 |
125308563 |
1 |
N2O6H20C23 |
A2B6C20D23 |
-163.51 |
6.32 |
-9.07 |
-1.4 |
0 |
|
|
307719 |
125308566 |
1 |
ClN2O5H23C25 |
AB2C5D23E25 |
-146.83 |
2.33 |
-8.63 |
-1.28 |
0 |
|
|
307720 |
125308586 |
1 |
N2O3C22H22 |
A2B3C22D22 |
3.5 |
7.07 |
-8.33 |
-0.94 |
0 |
|
|
307723 |
125308678 |
1 |
OSN4C13H20 |
ABC4D13E20 |
7.46 |
5.64 |
-8.64 |
-1.31 |
0 |
|
|
307725 |
125308705 |
1 |
O2N3C29H45 |
A2B3C29D45 |
-125.0 |
2.6 |
-8.7 |
0.36 |
0 |
|
|
307726 |
125308706 |
1 |
O2N3C29H45 |
A2B3C29D45 |
-125.75 |
4.83 |
-8.51 |
0.39 |
0 |
|
|
307727 |
125308707 |
1 |
O2N3C29H45 |
A2B3C29D45 |
-125.33 |
4.47 |
-8.31 |
0.39 |
0 |
|
|
307728 |
125308718 |
1 |
N3O4H19C20 |
A3B4C19D20 |
-52.76 |
1.5 |
-8.31 |
-1.24 |
0 |
|
|
307733 |
125308726 |
1 |
O2N5H17C22 |
A2B5C17D22 |
86.31 |
2.82 |
-9.0 |
-1.61 |
0 |
|
|
307734 |
125308727 |
1 |
SO2N4C19H22 |
AB2C4D19E22 |
-25.28 |
5.49 |
-8.81 |
-1.39 |
0 |
|
|
307735 |
125308735 |
1 |
ON2C17H22 |
AB2C17D22 |
11.68 |
2.03 |
-8.91 |
-1.34 |
0 |
|
|
307736 |
125308739 |
1 |
ON4C21H24 |
AB4C21D24 |
34.7 |
1.86 |
-8.66 |
-0.72 |
0 |
|
|
307739 |
125308744 |
1 |
ClN4O4H15C19 |
AB4C4D15E19 |
9.96 |
3.29 |
-8.37 |
-2.15 |
0 |
|
|
307740 |
125308745 |
1 |
N3O4C25H25 |
A3B4C25D25 |
-111.28 |
0.95 |
-9.0 |
-0.64 |
0 |
|
|
307745 |
125308765 |
1 |
N3O3C26H29 |
A3B3C26D29 |
-45.32 |
4.54 |
-8.97 |
-1.07 |
0 |
|
|
307746 |
125308796 |
3 |
OC5H6 |
AB5C6 |
-125.82 |
5.9 |
-9.66 |
-0.14 |
0 |
|
|
307747 |
125308814 |
1 |
NO7H23C25 |
AB7C23D25 |
-190.01 |
3.11 |
-8.71 |
-1.46 |
0 |
|
|
307748 |
125308819 |
2 |
NO4C15H17 |
AB4C15D17 |
-225.13 |
4.51 |
-8.26 |
-0.95 |
0 |
|
|
307749 |
125308823 |
1 |
ClN3O4H20C26 |
AB3C4D20E26 |
-4.08 |
13.07 |
-8.27 |
-2.4 |
0 |
|
|
307750 |
125308838 |
1 |
N2O3C19H20 |
A2B3C19D20 |
-30.16 |
1.23 |
-8.27 |
-1.48 |
0 |
|
|
307751 |
125308839 |
1 |
O2Cl3N4H17C24 |
A2B3C4D17E24 |
64.76 |
5.16 |
-9.29 |
-1.48 |
0 |
|
|
307752 |
125308841 |
1 |
OSN4C23H28 |
ABC4D23E28 |
14.32 |
8.55 |
-8.2 |
-0.3 |
0 |
|
|
307753 |
125308842 |
1 |
OSN4C23H28 |
ABC4D23E28 |
16.46 |
7.07 |
-8.13 |
-0.34 |
0 |
|
|
307754 |
125308843 |
1 |
O2N5H9C12 |
A2B5C9D12 |
134.81 |
7.22 |
-9.76 |
-1.92 |
0 |
|
|
307755 |
125308869 |
1 |
NO7C22H23 |
AB7C22D23 |
-258.14 |
6.77 |
-8.95 |
-0.95 |
0 |
|
|
307756 |
125308881 |
1 |
NO4C14H21 |
AB4C14D21 |
-195.08 |
3.18 |
-9.94 |
-0.71 |
0 |
|
|
307759 |
125308895 |
1 |
ON3H17C18 |
AB3C17D18 |
33.57 |
1.16 |
-8.7 |
-0.36 |
0 |
|
|
307760 |
125308899 |
1 |
N2O5H14C18 |
A2B5C14D18 |
-154.29 |
1.25 |
-9.35 |
-1.11 |
0 |
|
|
307761 |
125308917 |
1 |
OSN4C29H30 |
ABC4D29E30 |
70.94 |
7.99 |
-8.96 |
-0.9 |
0 |
|
|
307762 |
125308921 |
1 |
O2N3C20H21 |
A2B3C20D21 |
-8.37 |
5.15 |
-8.46 |
-1.15 |
0 |
|
|
307763 |
125308932 |
1 |
O3N4H24C30 |
A3B4C24D30 |
14.21 |
4.96 |
-9.0 |
-1.36 |
0 |
|
|
307764 |
125308970 |
1 |
FO2N4H19C20 |
AB2C4D19E20 |
-48.53 |
5.61 |
-8.88 |
-0.76 |
0 |
|
|
307765 |
125309006 |
1 |
O3N5C13H19 |
A3B5C13D19 |
-78.14 |
5.27 |
-9.33 |
-1.0 |
0 |
|
|
307766 |
125309007 |
1 |
ClSF2O3N5H14C20 |
ABC2D3E5F14G20 |
-55.15 |
4.55 |
-9.22 |
-2.78 |
0 |
|
|
307767 |
125309017 |
1 |
O3N5H11C13 |
A3B5C11D13 |
-5.79 |
3.01 |
-8.98 |
-0.98 |
0 |
|
|
307768 |
125309021 |
1 |
FPN3O9C22H29 |
ABC3D9E22F29 |
-483.84 |
3.1 |
-9.35 |
-0.71 |
0 |
|
|
307769 |
125309024 |
1 |
SN3H7C8 |
AB3C7D8 |
86.57 |
3.24 |
-8.89 |
-1.23 |
0 |
|
|
307770 |
125309028 |
1 |
O2N3C15H15 |
A2B3C15D15 |
-4.51 |
3.53 |
-8.44 |
-1.0 |
0 |
|
|
307771 |
125309031 |
1 |
BrS2N3O5H16C19 |
AB2C3D5E16F19 |
-91.82 |
5.57 |
-8.49 |
-1.88 |
0 |
|
|
307772 |
125309032 |
1 |
OCl2N3H9C13 |
AB2C3D9E13 |
32.71 |
3.37 |
-9.16 |
-1.62 |
0 |
|
|
307773 |
125309038 |
1 |
NS2O4C12H17 |
AB2C4D12E17 |
-145.33 |
6.91 |
-9.89 |
-0.17 |
0 |
|
|
307774 |
125309040 |
1 |
NS2O4C12H17 |
AB2C4D12E17 |
-139.45 |
1.94 |
-9.58 |
-0.01 |
0 |
|
|
307775 |
125309052 |
1 |
SO3N4C20H24 |
AB3C4D20E24 |
-92.75 |
6.04 |
-7.94 |
-0.14 |
0 |
|
|
307777 |
125309078 |
1 |
BrO2N4C20H21 |
AB2C4D20E21 |
28.31 |
1.72 |
-9.24 |
-2.24 |
0 |
|
|
307778 |
125309111 |
1 |
ClO2N3H18C24 |
AB2C3D18E24 |
43.06 |
4.87 |
-9.11 |
-1.88 |
0 |
|
|
307779 |
125309117 |
1 |
O9C26H44 |
A9B26C44 |
-462.63 |
7.56 |
-10.07 |
0.01 |
0 |
|
|
307780 |
125309124 |
1 |
SO3N4C21H24 |
AB3C4D21E24 |
-72.28 |
2.26 |
-9.21 |
-1.2 |
0 |
|
|
307781 |
125309146 |
1 |
SO2N5C16H17 |
AB2C5D16E17 |
31.4 |
9.8 |
-9.27 |
-1.27 |
0 |
|
|
307782 |
125309161 |
1 |
N2O3C14H18 |
A2B3C14D18 |
-71.8 |
1.53 |
-8.61 |
-1.02 |
0 |
|
|
307783 |
125309172 |
1 |
ClO3N4H23C28 |
AB3C4D23E28 |
53.67 |
4.6 |
-8.92 |
-1.49 |
0 |
|
|
307784 |
125309177 |
1 |
Cl3O8H19C26 |
A3B8C19D26 |
-289.26 |
1.31 |
-10.05 |
-1.21 |
0 |
|
|
307785 |
125309178 |
1 |
Cl3O8H19C26 |
A3B8C19D26 |
-285.22 |
1.69 |
-10.08 |
-1.27 |
0 |
|
|
307787 |
125309199 |
1 |
BrFSN2O2H18C23 |
ABCD2E2F18G23 |
-26.95 |
6.53 |
-9.11 |
-1.66 |
0 |
|
|
307788 |
125309206 |
1 |
ClO3N4H15C20 |
AB3C4D15E20 |
35.31 |
0.74 |
-8.68 |
-1.56 |
0 |
|
|
307789 |
125309209 |
1 |
OSN3C18H19 |
ABC3D18E19 |
59.21 |
6.66 |
-8.49 |
-1.01 |
0 |
|
|
307790 |
125309212 |
1 |
N3O3C16H17 |
A3B3C16D17 |
-62.19 |
6.79 |
-9.55 |
-1.16 |
0 |
|
|
307791 |
125309235 |
1 |
SN2O4H16C17 |
AB2C4D16E17 |
-95.94 |
3.54 |
-9.1 |
-2.07 |
0 |
|
|
307792 |
125309239 |
1 |
ClSO2N5C15H16 |
ABC2D5E15F16 |
-11.68 |
3.54 |
-9.23 |
-1.28 |
0 |
|
|
307793 |
125309287 |
1 |
FON2H23C26 |
ABC2D23E26 |
21.71 |
2.93 |
-9.2 |
-1.31 |
0 |
|
|
307794 |
125309299 |
2 |
ON2C10H14 |
AB2C10D14 |
-17.39 |
3.07 |
-8.38 |
-1.74 |
0 |
|
|
307795 |
125309319 |
2 |
NO2C13H15 |
AB2C13D15 |
-127.62 |
9.61 |
-9.31 |
-0.67 |
0 |