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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
137712 |
52247860 |
1 |
SN2O4C21H29 |
AB2C4D21E29 |
-104.2 |
6.18 |
0.0 |
0.0 |
0 |
|
|
137713 |
52247903 |
1 |
N3O3C21H31 |
A3B3C21D31 |
-132.33 |
6.51 |
-8.48 |
-0.35 |
0 |
|
|
137714 |
52248913 |
1 |
ON2C20H32 |
AB2C20D32 |
-64.41 |
3.81 |
-8.58 |
0.31 |
1 |
|
|
137715 |
52248914 |
1 |
SN2O3C18H29 |
AB2C3D18E29 |
-102.17 |
4.33 |
0.0 |
0.0 |
0 |
|
|
137716 |
52248915 |
1 |
SN2O3C18H28 |
AB2C3D18E28 |
-126.31 |
8.73 |
-8.69 |
-0.93 |
1 |
|
|
137717 |
52248938 |
1 |
N2O2C22H35 |
A2B2C22D35 |
-91.1 |
10.37 |
0.0 |
0.0 |
1 |
|
|
137718 |
52249581 |
1 |
O2N3C24H40 |
A2B3C24D40 |
-107.19 |
3.12 |
0.0 |
0.0 |
0 |
|
|
137719 |
52249921 |
1 |
NCl2S2O4C12H15 |
AB2C2D4E12F15 |
-166.16 |
5.26 |
-9.84 |
-1.11 |
0 |
|
|
137720 |
52250258 |
1 |
FSN3O4C16H18 |
ABC3D4E16F18 |
-70.03 |
4.19 |
-9.18 |
-1.76 |
0 |
|
|
137721 |
52251480 |
1 |
O2N5C24H27 |
A2B5C24D27 |
3.57 |
3.12 |
-7.98 |
-0.44 |
0 |
|
|
137722 |
52251665 |
1 |
O2N3C24H27 |
A2B3C24D27 |
6.79 |
5.87 |
-8.94 |
-0.24 |
0 |
|
|
137723 |
52251989 |
1 |
O2N6H20C21 |
A2B6C20D21 |
36.07 |
8.58 |
-8.74 |
-1.07 |
0 |
|
|
137724 |
52253120 |
1 |
ClSN2O2F3C12H12 |
ABC2D2E3F12G12 |
-234.08 |
7.8 |
-9.46 |
-1.1 |
0 |
|
|
137725 |
52253421 |
1 |
SO2N3C19H23 |
AB2C3D19E23 |
-39.6 |
3.0 |
-9.17 |
-0.55 |
1 |
|
|
137726 |
52253893 |
1 |
N3O4C20H26 |
A3B4C20D26 |
-32.81 |
11.67 |
0.0 |
0.0 |
0 |
|
|
137727 |
52253961 |
1 |
N2O3H18C20 |
A2B3C18D20 |
-70.98 |
3.5 |
-8.54 |
-1.4 |
0 |
|
|
137728 |
52254496 |
1 |
O3N5C19H25 |
A3B5C19D25 |
-85.21 |
8.1 |
-9.14 |
-0.3 |
0 |
|
|
137729 |
52254532 |
1 |
O2N4C15H18 |
A2B4C15D18 |
-30.19 |
4.99 |
-8.85 |
-0.01 |
0 |
|
|
137730 |
52254533 |
1 |
O2N4C15H18 |
A2B4C15D18 |
-30.15 |
4.92 |
-8.86 |
0.04 |
0 |
|
|
137731 |
52254660 |
1 |
ClO2N4C21H21 |
AB2C4D21E21 |
-26.87 |
5.56 |
-8.61 |
-0.7 |
0 |
|
|
137732 |
52255033 |
1 |
O2N4H20C23 |
A2B4C20D23 |
14.53 |
7.62 |
-8.97 |
-1.09 |
0 |
|
|
137733 |
52255083 |
2 |
N2O2C11H12 |
A2B2C11D12 |
-140.55 |
7.96 |
-8.81 |
-0.22 |
0 |
|
|
137734 |
52255121 |
1 |
ClO3N5C14H16 |
AB3C5D14E16 |
-17.4 |
11.02 |
-8.29 |
-0.24 |
0 |
|
|
137735 |
52255250 |
1 |
ClOSN3C19H20 |
ABCD3E19F20 |
38.3 |
5.95 |
-9.12 |
-0.7 |
0 |
|
|
137736 |
52255266 |
1 |
ClO3N4C19H25 |
AB3C4D19E25 |
-83.55 |
2.56 |
-9.38 |
-0.27 |
1 |
|
|
137737 |
52255267 |
1 |
ClO3N4C19H26 |
AB3C4D19E26 |
-77.05 |
3.24 |
0.0 |
0.0 |
0 |
|
|
137738 |
52255427 |
1 |
ClSO2N4C18H21 |
ABC2D4E18F21 |
-38.35 |
4.55 |
-9.17 |
-0.89 |
0 |
|
|
137739 |
52255761 |
1 |
ClO3N4C16H21 |
AB3C4D16E21 |
-130.3 |
3.02 |
-9.18 |
-0.67 |
0 |
|
|
137740 |
52255973 |
1 |
FO3N4C19H21 |
AB3C4D19E21 |
-90.73 |
3.99 |
-8.99 |
-0.95 |
0 |
|
|
137741 |
52256017 |
1 |
N2O3C19H26 |
A2B3C19D26 |
-102.76 |
5.41 |
-8.69 |
-0.61 |
1 |
|
|
137742 |
52256166 |
1 |
ON3C19H32 |
AB3C19D32 |
-24.36 |
4.67 |
0.0 |
0.0 |
0 |
|
|
137743 |
52256188 |
1 |
SN2O3H18C19 |
AB2C3D18E19 |
-46.37 |
5.67 |
-8.64 |
-1.03 |
0 |
|
|
137744 |
52256406 |
1 |
FN3O3C17H24 |
AB3C3D17E24 |
-178.99 |
2.84 |
-9.69 |
-0.67 |
0 |
|
|
137745 |
52256407 |
1 |
FON2C18H21 |
ABC2D18E21 |
-63.47 |
2.95 |
-8.82 |
-0.38 |
-1 |
|
|
137746 |
52256687 |
1 |
O2N4C19H23 |
A2B4C19D23 |
-2.53 |
5.81 |
0.0 |
0.0 |
0 |
|
|
137747 |
52256688 |
1 |
O2N4C19H24 |
A2B4C19D24 |
-26.3 |
6.04 |
-9.36 |
-1.32 |
-1 |
|
|
137748 |
52256689 |
1 |
O2N4C19H23 |
A2B4C19D23 |
-2.03 |
5.98 |
0.0 |
0.0 |
0 |
|
|
137749 |
52256954 |
1 |
ClSO3N5C17H22 |
ABC3D5E17F22 |
-76.92 |
4.91 |
-9.74 |
-0.8 |
0 |
|
|
137750 |
52256955 |
1 |
ClSO3N5C17H22 |
ABC3D5E17F22 |
-72.87 |
4.81 |
-9.63 |
-0.88 |
0 |
|
|
137751 |
52257312 |
1 |
O2N4C17H24 |
A2B4C17D24 |
-45.6 |
4.57 |
-9.06 |
0.08 |
0 |
|
|
137752 |
52257350 |
1 |
OF3N4C14H15 |
AB3C4D14E15 |
-148.23 |
4.01 |
-10.16 |
-0.71 |
0 |
|
|
137753 |
52257351 |
1 |
OCl2N4C13H14 |
AB2C4D13E14 |
-3.04 |
5.07 |
-9.86 |
-0.65 |
0 |
|
|
137754 |
52257352 |
1 |
OCl2N4C13H14 |
AB2C4D13E14 |
-2.86 |
4.87 |
-9.82 |
-0.59 |
0 |
|
|
137755 |
52257693 |
2 |
NO2C10H13 |
AB2C10D13 |
-127.41 |
5.6 |
-8.72 |
-0.05 |
0 |
|
|
137756 |
52257694 |
2 |
NOC10H13 |
ABC10D13 |
-71.31 |
5.3 |
-8.85 |
0.01 |
-1 |
|
|
137757 |
52258135 |
1 |
ClSO2N4C18H18 |
ABC2D4E18F18 |
16.23 |
8.03 |
0.0 |
0.0 |
0 |
|
|
137758 |
52258317 |
1 |
N3O4C18H19 |
A3B4C18D19 |
-79.08 |
10.28 |
-9.08 |
-0.51 |
0 |
|
|
137759 |
52258318 |
1 |
ON3C17H17 |
AB3C17D17 |
14.62 |
8.38 |
-9.17 |
-0.6 |
0 |
|
|
137760 |
52258434 |
1 |
FN2O2C16H17 |
AB2C2D16E17 |
-94.56 |
5.17 |
-8.85 |
-0.33 |
0 |
|
|
137761 |
52258593 |
1 |
ClFO2N3H15C17 |
ABC2D3E15F17 |
-58.78 |
4.17 |
-9.09 |
-0.71 |
0 |
|
|
137762 |
52258695 |
1 |
ON6C21H30 |
AB6C21D30 |
4.09 |
3.56 |
-8.46 |
-0.03 |
0 |
|
|
137763 |
52258696 |
1 |
FON2C20H25 |
ABC2D20E25 |
-68.72 |
4.4 |
-8.91 |
-0.33 |
0 |
|
|
137764 |
52258697 |
1 |
FON2C20H25 |
ABC2D20E25 |
-69.82 |
2.63 |
-8.9 |
-0.15 |
0 |
|
|
137765 |
52258810 |
1 |
SO3N4H14C17 |
AB3C4D14E17 |
5.52 |
5.06 |
-9.59 |
-1.24 |
0 |
|
|
137766 |
52259371 |
1 |
FN3O4H16C18 |
AB3C4D16E18 |
-97.7 |
6.36 |
-10.13 |
-1.25 |
0 |
|
|
137767 |
52259478 |
1 |
FSN2O5H13C15 |
ABC2D5E13F15 |
-120.51 |
6.92 |
-9.68 |
-1.7 |
0 |
|
|
137768 |
52259479 |
1 |
FN2O4H9C14 |
AB2C4D9E14 |
-40.7 |
6.89 |
-9.92 |
-1.56 |
0 |
|
|
137769 |
52259480 |
1 |
BrFSN2O4H14C15 |
ABCD2E4F14G15 |
-69.71 |
5.65 |
-9.52 |
-1.71 |
0 |
|
|
137770 |
52259481 |
1 |
F3N3O6H12C17 |
A3B3C6D12E17 |
-184.64 |
4.6 |
-9.3 |
-1.79 |
0 |
|
|
137771 |
52259482 |
1 |
FN2O5H17C18 |
AB2C5D17E18 |
-128.96 |
9.26 |
-9.41 |
-1.49 |
0 |
|
|
137772 |
52259483 |
1 |
FN2O6H15C17 |
AB2C6D15E17 |
-151.34 |
4.93 |
-9.04 |
-1.63 |
0 |
|
|
137773 |
52259484 |
1 |
FN2O6H15C17 |
AB2C6D15E17 |
-150.8 |
3.84 |
-8.96 |
-1.73 |
0 |
|
|
137774 |
52259485 |
1 |
FN2O5C19H19 |
AB2C5D19E19 |
-134.17 |
10.12 |
-9.39 |
-1.5 |
0 |
|
|
137775 |
52259486 |
1 |
BrFN2O4H14C16 |
ABC2D4E14F16 |
-84.13 |
4.97 |
-9.86 |
-1.69 |
0 |
|
|
137776 |
52259487 |
1 |
BrFN2O4H14C16 |
ABC2D4E14F16 |
-84.21 |
3.97 |
-9.86 |
-1.71 |
0 |
|
|
137777 |
52259545 |
1 |
N2O5C19H20 |
A2B5C19D20 |
-83.06 |
5.04 |
-8.4 |
-1.46 |
0 |
|
|
137778 |
52260340 |
2 |
ClON2C8H8 |
ABC2D8E8 |
-49.62 |
6.09 |
-8.81 |
-1.48 |
0 |
|
|
137779 |
52260709 |
1 |
S2N3O3C16H19 |
A2B3C3D16E19 |
-78.91 |
4.83 |
-8.98 |
-1.08 |
0 |
|
|
137780 |
52260710 |
1 |
S2N3O3C16H19 |
A2B3C3D16E19 |
-76.46 |
4.55 |
-9.22 |
-1.3 |
0 |
|
|
137781 |
52260868 |
1 |
OS2N3C16H23 |
AB2C3D16E23 |
-0.85 |
3.82 |
-7.94 |
0.02 |
0 |
|
|
137782 |
52261088 |
1 |
ON2C19H22 |
AB2C19D22 |
-12.41 |
3.75 |
-8.49 |
0.04 |
0 |
|
|
137783 |
52261447 |
1 |
BrON3C16H24 |
ABC3D16E24 |
-32.13 |
5.8 |
-8.93 |
-0.93 |
1 |
|
|
137784 |
52262019 |
1 |
ON4C23H33 |
AB4C23D33 |
0.41 |
4.46 |
0.0 |
0.0 |
0 |
|
|
137785 |
52262021 |
1 |
N2O3C16H24 |
A2B3C16D24 |
-116.49 |
4.5 |
-9.27 |
0.0 |
1 |
|
|
137786 |
52262135 |
1 |
ClSN3O3C17H27 |
ABC3D3E17F27 |
-108.92 |
4.03 |
0.0 |
0.0 |
0 |
|
|
137787 |
52262880 |
1 |
Cl2O3N5H15C17 |
A2B3C5D15E17 |
-35.64 |
2.41 |
-9.56 |
-1.77 |
0 |
|
|
137788 |
52263190 |
1 |
SN2O3C19H32 |
AB2C3D19E32 |
-123.38 |
4.81 |
-8.91 |
0.22 |
-1 |
|
|
137789 |
52263507 |
1 |
SO3N4C20H21 |
AB3C4D20E21 |
-12.61 |
5.67 |
0.0 |
0.0 |
0 |
|
|
137790 |
52263508 |
1 |
SO3N4C20H22 |
AB3C4D20E22 |
-46.06 |
5.17 |
-8.65 |
-0.87 |
0 |
|
|
137791 |
52263509 |
1 |
SO3N4C20H22 |
AB3C4D20E22 |
-45.91 |
4.78 |
-8.58 |
-0.69 |
0 |
|
|
137792 |
52263510 |
1 |
O3N4C20H24 |
A3B4C20D24 |
-62.54 |
6.93 |
-8.8 |
-0.46 |
0 |
|
|
137793 |
52263511 |
1 |
N3O3H15C16 |
A3B3C15D16 |
-38.98 |
3.92 |
-8.75 |
-0.64 |
0 |
|
|
137794 |
52263913 |
1 |
N3O4C17H27 |
A3B4C17D27 |
-167.75 |
3.94 |
-8.9 |
-0.17 |
0 |
|
|
137795 |
52264447 |
1 |
N2O5C21H24 |
A2B5C21D24 |
-177.29 |
8.29 |
-9.23 |
-0.8 |
0 |
|
|
137796 |
52264566 |
1 |
O3N4H18C19 |
A3B4C18D19 |
-23.27 |
4.75 |
-8.84 |
-0.81 |
0 |
|
|
137797 |
52264567 |
1 |
ClSO2N3H12C16 |
ABC2D3E12F16 |
6.24 |
2.59 |
-8.74 |
-1.47 |
0 |
|
|
137798 |
52264568 |
1 |
O3N4H16C21 |
A3B4C16D21 |
1.37 |
2.02 |
-8.91 |
-1.19 |
0 |
|
|
137799 |
52264649 |
1 |
N3O4H13C14 |
A3B4C13D14 |
-36.0 |
4.1 |
-9.06 |
-1.67 |
0 |
|
|
137800 |
52264650 |
1 |
SO2N4H16C19 |
AB2C4D16E19 |
42.95 |
3.67 |
-8.68 |
-0.98 |
0 |
|
|
137801 |
52264651 |
1 |
SN3O3H15C18 |
AB3C3D15E18 |
-31.96 |
6.91 |
-8.63 |
-1.15 |
0 |
|
|
137802 |
52264652 |
1 |
FO2N5H14C16 |
AB2C5D14E16 |
-16.97 |
5.66 |
-8.66 |
-1.04 |
0 |
|
|
137803 |
52264653 |
1 |
F3O3N4H17C20 |
A3B3C4D17E20 |
-184.03 |
5.04 |
-8.93 |
-1.26 |
0 |
|
|
137804 |
52264654 |
1 |
N2O3C20H22 |
A2B3C20D22 |
-87.65 |
2.44 |
-8.69 |
-0.26 |
0 |
|
|
137805 |
52264655 |
1 |
ClSO2N3H14C17 |
ABC2D3E14F17 |
-7.5 |
2.45 |
-8.78 |
-1.6 |
0 |
|
|
137806 |
52264656 |
1 |
FN3O3H14C15 |
AB3C3D14E15 |
-114.46 |
2.46 |
-8.75 |
-0.72 |
0 |
|
|
137807 |
52264657 |
1 |
SO2N3H15C17 |
AB2C3D15E17 |
5.67 |
5.34 |
-8.65 |
-1.2 |
0 |
|
|
137808 |
52264658 |
1 |
N2O3H18C20 |
A2B3C18D20 |
-35.84 |
3.5 |
-8.78 |
-0.46 |
0 |
|
|
137809 |
52265066 |
1 |
FO2N5C19H22 |
AB2C5D19E22 |
-72.05 |
4.4 |
-9.18 |
-0.4 |
0 |
|
|
137810 |
52265382 |
1 |
O2N3C15H23 |
A2B3C15D23 |
-71.22 |
2.69 |
-8.32 |
0.39 |
1 |
|
|
137811 |
52265500 |
1 |
ON4C20H27 |
AB4C20D27 |
-10.73 |
3.66 |
0.0 |
0.0 |
0 |