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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
371692 |
131270539 |
1 |
N2O2F3H7C9 |
A2B2C3D7E9 |
-186.48 |
5.97 |
-10.34 |
-1.57 |
0 |
|
|
371693 |
131270540 |
1 |
N2O2F3H7C9 |
A2B2C3D7E9 |
-186.46 |
4.89 |
-10.58 |
-1.6 |
0 |
|
|
371694 |
131270635 |
1 |
NSO2C10H13 |
ABC2D10E13 |
-63.17 |
2.34 |
-9.08 |
-0.23 |
0 |
|
|
371695 |
131270636 |
1 |
BrOSN2C11H13 |
ABCD2E11F13 |
25.04 |
3.31 |
-9.16 |
-0.78 |
0 |
|
|
371696 |
131270654 |
1 |
SN2C12H20 |
AB2C12D20 |
15.53 |
0.97 |
-8.6 |
0.06 |
0 |
|
|
371697 |
131270664 |
1 |
NSCl2F3O3H4C7 |
ABC2D3E3F4G7 |
-261.85 |
8.49 |
-9.5 |
-1.71 |
0 |
|
|
371698 |
131270685 |
1 |
NO5C9H11 |
AB5C9D11 |
-159.58 |
7.87 |
-11.41 |
-1.76 |
0 |
|
|
371699 |
131270695 |
1 |
FNBr2O3H4C8 |
ABC2D3E4F8 |
-51.82 |
2.74 |
-10.7 |
-2.13 |
0 |
|
|
371700 |
131270707 |
1 |
BrINOH3F4C7 |
ABCDE3F4G7 |
-197.33 |
2.43 |
-10.14 |
-1.9 |
0 |
|
|
371701 |
131270719 |
1 |
BrFNH5O5C8 |
ABCD5E5F8 |
-148.8 |
1.3 |
-10.87 |
-1.82 |
0 |
|
|
371702 |
131270720 |
1 |
BrFNH5O5C8 |
ABCD5E5F8 |
-148.09 |
5.79 |
-10.71 |
-2.0 |
0 |
|
|
371703 |
131270739 |
1 |
BrSO3H7C10 |
ABC3D7E10 |
-78.39 |
3.57 |
-9.08 |
-0.99 |
0 |
|
|
371704 |
131270782 |
1 |
BrON2C11H15 |
ABC2D11E15 |
-21.5 |
4.08 |
-8.84 |
-0.16 |
0 |
|
|
371705 |
131270808 |
1 |
BrN3H6C9 |
AB3C6D9 |
80.06 |
4.42 |
-9.3 |
-1.21 |
0 |
|
|
371706 |
131270846 |
1 |
BrH2N2F3O4C6 |
AB2C2D3E4F6 |
-198.93 |
5.02 |
-10.64 |
-1.92 |
0 |
|
|
371707 |
131270854 |
1 |
ClN2F3O3H4C7 |
AB2C3D3E4F7 |
-260.63 |
3.49 |
-9.44 |
-1.76 |
0 |
|
|
371708 |
131270856 |
1 |
ClN2F3O3H4C7 |
AB2C3D3E4F7 |
-262.68 |
4.41 |
-9.46 |
-1.5 |
0 |
|
|
371709 |
131270880 |
1 |
BrClNO3H7C9 |
ABCD3E7F9 |
-32.2 |
6.07 |
-10.34 |
-1.98 |
0 |
|
|
371710 |
131270888 |
1 |
ON4C8H12 |
AB4C8D12 |
1.29 |
5.14 |
-8.99 |
0.14 |
0 |
|
|
371711 |
131270898 |
1 |
N2C13H16 |
A2B13C16 |
28.02 |
4.89 |
-9.22 |
0.12 |
0 |
|
|
371712 |
131270919 |
1 |
ClOSN3C8H12 |
ABCD3E8F12 |
-1.43 |
2.91 |
-9.14 |
-1.01 |
0 |
|
|
371713 |
131270920 |
1 |
ON2C8H14 |
AB2C8D14 |
-28.88 |
6.4 |
-9.45 |
1.0 |
0 |
|
|
371714 |
131270943 |
1 |
SN4C7H8 |
AB4C7D8 |
79.91 |
3.39 |
-9.44 |
-0.96 |
0 |
|
|
371715 |
131270948 |
1 |
SN4C7H8 |
AB4C7D8 |
76.73 |
2.95 |
-9.03 |
-0.94 |
0 |
|
|
371716 |
131270986 |
1 |
ON3C9H13 |
AB3C9D13 |
-2.35 |
4.19 |
-9.38 |
0.24 |
0 |
|
|
371717 |
131270987 |
1 |
ON3C9H13 |
AB3C9D13 |
30.27 |
3.76 |
-10.2 |
-0.03 |
0 |
|
|
371718 |
131270992 |
1 |
BrClNO2F3H4C8 |
ABCD2E3F4G8 |
-155.4 |
3.64 |
-10.7 |
-1.97 |
0 |
|
|
371719 |
131270997 |
1 |
ClO2N4C9H9 |
AB2C4D9E9 |
-0.38 |
2.44 |
-10.04 |
-1.58 |
0 |
|
|
371720 |
131271023 |
1 |
ClFNSH5O5C7 |
ABCDE5F5G7 |
-136.8 |
8.79 |
-10.54 |
-2.28 |
0 |
|
|
371721 |
131271237 |
1 |
O2N5C7H13 |
A2B5C7D13 |
-49.31 |
5.83 |
-9.64 |
0.0 |
0 |
|
|
371722 |
131271241 |
1 |
ClNO2H6C8 |
ABC2D6E8 |
-37.7 |
6.21 |
-9.58 |
-0.79 |
0 |
|
|
371723 |
131271244 |
1 |
OSN2C12H18 |
ABC2D12E18 |
-26.18 |
2.88 |
-8.56 |
-0.63 |
0 |
|
|
371724 |
131271300 |
1 |
ION2C10H11 |
ABC2D10E11 |
18.12 |
3.36 |
-8.6 |
-0.92 |
0 |
|
|
371725 |
131271333 |
1 |
FNC14H22 |
ABC14D22 |
-69.29 |
3.54 |
-8.76 |
0.49 |
0 |
|
|
371726 |
131271391 |
1 |
ISO3H5C10 |
ABC3D5E10 |
-46.53 |
6.65 |
-9.4 |
-1.97 |
0 |
|
|
371727 |
131271393 |
1 |
ISO3H5C10 |
ABC3D5E10 |
-49.81 |
3.59 |
-9.35 |
-1.92 |
0 |
|
|
371728 |
131271394 |
1 |
O3C4N5H9 |
A3B4C5D9 |
-40.0 |
4.73 |
-10.01 |
-0.21 |
0 |
|
|
371729 |
131271397 |
1 |
O2N3H7C9 |
A2B3C7D9 |
-5.81 |
8.83 |
-11.06 |
-1.92 |
0 |
|
|
371730 |
131271398 |
1 |
N3C11H15 |
A3B11C15 |
45.37 |
2.09 |
-8.82 |
-0.29 |
0 |
|
|
371731 |
131271414 |
1 |
NSO3C10H17 |
ABC3D10E17 |
-126.35 |
5.57 |
-10.92 |
0.67 |
0 |
|
|
371732 |
131271417 |
1 |
O2C9H12 |
A2B9C12 |
-55.73 |
6.53 |
-9.73 |
-0.74 |
0 |
|
|
371733 |
131271422 |
1 |
ON2H8C9 |
AB2C8D9 |
25.19 |
3.55 |
-9.32 |
-0.35 |
0 |
|
|
371734 |
131271423 |
1 |
ON2H8C9 |
AB2C8D9 |
10.64 |
2.74 |
-8.84 |
-0.03 |
0 |
|
|
371735 |
131271426 |
1 |
F2N2C7H10 |
A2B2C7D10 |
-84.29 |
3.13 |
-9.62 |
0.75 |
0 |
|
|
371736 |
131271428 |
1 |
F2N2C7H10 |
A2B2C7D10 |
-57.04 |
4.38 |
-9.95 |
1.08 |
0 |
|
|
371737 |
131271429 |
1 |
F2N2C7H10 |
A2B2C7D10 |
-91.7 |
4.7 |
-9.97 |
0.92 |
0 |
|
|
371738 |
131271431 |
1 |
OH4N4C7 |
AB4C4D7 |
72.27 |
5.49 |
-9.61 |
-1.49 |
0 |
|
|
371739 |
131271432 |
1 |
OH4N4C7 |
AB4C4D7 |
66.79 |
6.16 |
-9.7 |
-1.51 |
0 |
|
|
371740 |
131271437 |
2 |
NO2C3H3 |
AB2C3D3 |
-87.56 |
4.34 |
-10.93 |
-2.38 |
0 |
|
|
371741 |
131271440 |
1 |
ClSO3C7H13 |
ABC3D7E13 |
-138.41 |
6.49 |
-10.14 |
-1.06 |
0 |
|
|
371742 |
131271444 |
1 |
FNOC12H14 |
ABCD12E14 |
-52.75 |
3.2 |
-8.76 |
0.1 |
0 |
|
|
371743 |
131271445 |
1 |
ClN3H10C11 |
AB3C10D11 |
55.05 |
3.77 |
-8.98 |
-0.6 |
0 |
|
|
371744 |
131271450 |
1 |
NOF2H11C12 |
ABC2D11E12 |
-99.44 |
4.55 |
-10.37 |
-1.37 |
0 |
|
|
371745 |
131271451 |
1 |
NOF2H11C12 |
ABC2D11E12 |
-102.1 |
4.59 |
-10.41 |
-1.25 |
0 |
|
|
371746 |
131271452 |
1 |
NOF2H11C12 |
ABC2D11E12 |
-102.94 |
5.12 |
-10.4 |
-1.34 |
0 |
|
|
371747 |
131271456 |
1 |
NOF2H11C12 |
ABC2D11E12 |
-103.1 |
3.02 |
-10.4 |
-1.13 |
0 |
|
|
371748 |
131271459 |
1 |
NOF2H11C12 |
ABC2D11E12 |
-101.97 |
5.45 |
-10.39 |
-1.47 |
0 |
|
|
371749 |
131271460 |
1 |
ON2C10H18 |
AB2C10D18 |
-38.26 |
4.76 |
-9.26 |
1.35 |
0 |
|
|
371750 |
131271462 |
1 |
ON2C10H18 |
AB2C10D18 |
-36.64 |
4.84 |
-9.64 |
1.14 |
0 |
|
|
371751 |
131271464 |
1 |
NO2C11H13 |
AB2C11D13 |
-45.25 |
2.19 |
-9.08 |
-0.07 |
0 |
|
|
371752 |
131271479 |
1 |
N2O5H6C9 |
A2B5C6D9 |
-69.54 |
3.85 |
-11.36 |
-2.51 |
0 |
|
|
371753 |
131271483 |
1 |
FON2H9C11 |
ABC2D9E11 |
-28.53 |
1.68 |
-8.98 |
-0.52 |
0 |
|
|
371754 |
131271485 |
1 |
FON2H9C11 |
ABC2D9E11 |
-29.62 |
3.52 |
-8.89 |
-0.38 |
0 |
|
|
371755 |
131271493 |
1 |
O2N4H8C9 |
A2B4C8D9 |
6.46 |
11.73 |
-9.62 |
-1.23 |
0 |
|
|
371756 |
131271494 |
1 |
O2N4H8C9 |
A2B4C8D9 |
8.47 |
4.34 |
-8.94 |
-1.21 |
0 |
|
|
371757 |
131271517 |
1 |
NF2C12H15 |
AB2C12D15 |
-84.37 |
2.88 |
-8.75 |
-0.28 |
0 |
|
|
371758 |
131271518 |
1 |
BrN2O3C9H9 |
AB2C3D9E9 |
-7.08 |
8.97 |
-9.51 |
-1.26 |
0 |
|
|
371759 |
131271530 |
1 |
O2S2C11H12 |
A2B2C11D12 |
-46.22 |
4.06 |
-8.43 |
-0.76 |
0 |
|
|
371760 |
131271541 |
1 |
ON2C10H18 |
AB2C10D18 |
-39.03 |
3.46 |
-9.18 |
0.87 |
0 |
|
|
371761 |
131271547 |
1 |
NO2C11H13 |
AB2C11D13 |
-53.06 |
3.52 |
-9.84 |
-0.33 |
0 |
|
|
371762 |
131271560 |
4 |
NC3H3 |
AB3C3 |
73.21 |
5.14 |
-8.81 |
-0.13 |
0 |
|
|
371763 |
131271576 |
1 |
ClOBr2H7C8 |
ABC2D7E8 |
-23.72 |
3.6 |
-9.19 |
-1.0 |
0 |
|
|
371764 |
131271578 |
1 |
ClNOF2C10H12 |
ABCD2E10F12 |
-134.41 |
1.62 |
-9.77 |
-0.88 |
0 |
|
|
371765 |
131271582 |
1 |
ClNF2O2H8C9 |
ABC2D2E8F9 |
-159.99 |
2.34 |
-9.98 |
-1.08 |
0 |
|
|
371766 |
131271584 |
1 |
N2O2C9H14 |
A2B2C9D14 |
-67.58 |
4.03 |
-9.34 |
0.43 |
0 |
|
|
371767 |
131271588 |
1 |
BrFNO2C10H11 |
ABCD2E10F11 |
-113.56 |
2.15 |
-9.67 |
-0.57 |
0 |
|
|
371768 |
131271589 |
1 |
BrNH12C13 |
ABC12D13 |
57.54 |
0.32 |
-9.18 |
-0.88 |
0 |
|
|
371769 |
131271593 |
1 |
BrNH12C13 |
ABC12D13 |
56.37 |
2.23 |
-7.91 |
-0.6 |
0 |
|
|
371770 |
131271597 |
1 |
NSO2F3C8H8 |
ABC2D3E8F8 |
-214.79 |
4.8 |
-10.33 |
-1.52 |
0 |
|
|
371771 |
131271598 |
1 |
ON2C12H16 |
AB2C12D16 |
-23.7 |
1.48 |
-8.2 |
0.2 |
0 |
|
|
371772 |
131271601 |
1 |
BrN2O4H5C7 |
AB2C4D5E7 |
-63.03 |
6.53 |
-9.69 |
-1.63 |
0 |
|
|
371773 |
131271603 |
1 |
NSO3C11H13 |
ABC3D11E13 |
-104.42 |
2.46 |
-9.89 |
-1.59 |
0 |
|
|
371774 |
131271608 |
1 |
ClO2N3C9H12 |
AB2C3D9E12 |
5.07 |
3.92 |
-9.96 |
-1.61 |
0 |
|
|
371775 |
131271610 |
1 |
SN3O3C9H9 |
AB3C3D9E9 |
-27.5 |
3.05 |
-10.2 |
-1.76 |
0 |
|
|
371776 |
131271611 |
1 |
SN3O3C9H9 |
AB3C3D9E9 |
-31.18 |
3.6 |
-10.06 |
-1.93 |
0 |
|
|
371777 |
131271612 |
1 |
SN3O3C9H9 |
AB3C3D9E9 |
-85.29 |
3.82 |
-9.13 |
-1.16 |
0 |
|
|
371778 |
131271614 |
1 |
BrN2O4H7C8 |
AB2C4D7E8 |
-72.91 |
6.71 |
-9.53 |
-1.38 |
0 |
|
|
371779 |
131271620 |
1 |
ON2C12H14 |
AB2C12D14 |
7.71 |
2.56 |
-8.68 |
0.21 |
0 |
|
|
371780 |
131271624 |
1 |
ON2C12H14 |
AB2C12D14 |
23.05 |
1.75 |
-8.52 |
0.18 |
0 |
|
|
371781 |
131271625 |
1 |
ON2C12H14 |
AB2C12D14 |
2.1 |
5.12 |
-9.29 |
-0.64 |
0 |
|
|
371782 |
131271632 |
1 |
ClIO3H10C11 |
ABC3D10E11 |
-96.01 |
1.99 |
-9.77 |
-1.39 |
0 |
|
|
371783 |
131271635 |
1 |
NOC13H17 |
ABC13D17 |
-40.51 |
3.61 |
-8.43 |
0.25 |
0 |
|
|
371784 |
131271639 |
1 |
BrN2C9H9 |
AB2C9D9 |
39.93 |
4.38 |
-8.78 |
-0.28 |
0 |
|
|
371785 |
131271645 |
1 |
ISO3H7C11 |
ABC3D7E11 |
-58.34 |
4.16 |
-9.03 |
-1.7 |
0 |
|
|
371786 |
131271646 |
1 |
ISO3H7C11 |
ABC3D7E11 |
-57.12 |
3.14 |
-9.13 |
-1.8 |
0 |
|
|
371787 |
131271647 |
1 |
FSO3H7C11 |
ABC3D7E11 |
-123.02 |
3.04 |
-9.2 |
-1.71 |
0 |
|
|
371788 |
131271648 |
1 |
ClSO3H7C11 |
ABC3D7E11 |
-80.33 |
3.9 |
-8.95 |
-1.76 |
0 |
|
|
371789 |
131271649 |
1 |
FSO3H7C11 |
ABC3D7E11 |
-118.21 |
5.69 |
-9.25 |
-1.16 |
0 |
|
|
371790 |
131271650 |
1 |
ClNO2F3C9H9 |
ABC2D3E9F9 |
-228.09 |
2.37 |
-9.21 |
-0.57 |
0 |
|
|
371791 |
131271660 |
1 |
NF2O2C9H17 |
AB2C2D9E17 |
-202.66 |
4.2 |
-9.09 |
1.62 |
0 |