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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
70652 |
48413661 |
1 |
BrN3O3H16C17 |
AB3C3D16E17 |
-1.22 |
3.95 |
-9.64 |
-1.01 |
0 |
|
|
70653 |
48413663 |
1 |
N4O5C20H20 |
A4B5C20D20 |
-21.63 |
5.24 |
-9.54 |
-1.54 |
0 |
|
|
70654 |
48413664 |
1 |
N4O4H22C23 |
A4B4C22D23 |
-55.58 |
6.57 |
-9.64 |
-1.54 |
0 |
|
|
70655 |
48413665 |
1 |
N3O3C22H25 |
A3B3C22D25 |
-33.01 |
5.28 |
-8.83 |
-0.82 |
0 |
|
|
70656 |
48413668 |
1 |
SN3O3C20H21 |
AB3C3D20E21 |
-20.65 |
3.14 |
-9.5 |
-1.06 |
0 |
|
|
70657 |
48413669 |
1 |
SO3N4C17H20 |
AB3C4D17E20 |
-43.62 |
2.09 |
-9.19 |
-0.8 |
0 |
|
|
70658 |
48413670 |
1 |
O3N4C22H22 |
A3B4C22D22 |
4.02 |
3.62 |
-9.7 |
-0.89 |
0 |
|
|
70659 |
48413671 |
1 |
SN3O4C20H21 |
AB3C4D20E21 |
-62.54 |
3.14 |
-9.7 |
-1.13 |
0 |
|
|
70660 |
48413673 |
1 |
O3N5C21H25 |
A3B5C21D25 |
-18.86 |
3.76 |
-9.72 |
-1.12 |
0 |
|
|
70661 |
48413675 |
1 |
N3O3H19C21 |
A3B3C19D21 |
8.22 |
4.68 |
-9.55 |
-0.98 |
0 |
|
|
70662 |
48413676 |
1 |
O3N4C24H26 |
A3B4C24D26 |
-28.84 |
3.2 |
-9.51 |
-0.85 |
0 |
|
|
70663 |
48413678 |
1 |
SO2N4C18H20 |
AB2C4D18E20 |
13.39 |
4.98 |
-9.45 |
-0.73 |
0 |
|
|
70664 |
48413679 |
1 |
N4O4C21H24 |
A4B4C21D24 |
-90.46 |
2.79 |
-9.49 |
-0.76 |
0 |
|
|
70665 |
48413684 |
2 |
N2O2C9H12 |
A2B2C9D12 |
-111.5 |
2.96 |
-9.63 |
-0.78 |
0 |
|
|
70666 |
48413685 |
1 |
O2N5C23H25 |
A2B5C23D25 |
23.85 |
4.95 |
-8.76 |
-0.88 |
0 |
|
|
70667 |
48413687 |
1 |
FO2N5H20C22 |
AB2C5D20E22 |
22.75 |
4.76 |
-9.56 |
-1.12 |
0 |
|
|
70668 |
48413692 |
1 |
O3N4C20H26 |
A3B4C20D26 |
-68.99 |
2.48 |
-9.55 |
-0.88 |
0 |
|
|
70669 |
48413695 |
1 |
SN3O4C20H27 |
AB3C4D20E27 |
-145.99 |
2.63 |
-8.86 |
-0.5 |
0 |
|
|
70670 |
48413696 |
1 |
ClN2O3C22H27 |
AB2C3D22E27 |
-98.93 |
5.78 |
-8.82 |
-0.16 |
0 |
|
|
70671 |
48413698 |
1 |
FN3O4C22H26 |
AB3C4D22E26 |
-165.68 |
3.47 |
-8.88 |
-0.71 |
0 |
|
|
70672 |
48413700 |
1 |
BrN3O3C18H22 |
AB3C3D18E22 |
-73.17 |
3.22 |
-8.78 |
-0.13 |
0 |
|
|
70673 |
48413701 |
1 |
N3O4C22H27 |
A3B4C22D27 |
-127.05 |
6.05 |
-8.77 |
-0.14 |
0 |
|
|
70674 |
48413703 |
1 |
N3O5C22H29 |
A3B5C22D29 |
-159.91 |
5.23 |
-8.59 |
-0.5 |
0 |
|
|
70675 |
48413704 |
1 |
N2O5C22H26 |
A2B5C22D26 |
-144.07 |
4.74 |
-8.87 |
-0.07 |
0 |
|
|
70676 |
48413705 |
1 |
N2O3C22H32 |
A2B3C22D32 |
-115.36 |
4.02 |
-8.64 |
0.16 |
0 |
|
|
70677 |
48413706 |
1 |
N3O3C22H29 |
A3B3C22D29 |
-75.86 |
6.65 |
-8.48 |
-0.1 |
0 |
|
|
70678 |
48413710 |
1 |
O3N5C22H25 |
A3B5C22D25 |
-15.45 |
5.86 |
-8.85 |
-1.13 |
0 |
|
|
70679 |
48413711 |
1 |
N3O4C23H35 |
A3B4C23D35 |
-172.39 |
1.0 |
-8.71 |
0.09 |
0 |
|
|
70680 |
48413713 |
1 |
SN2O3C23H30 |
AB2C3D23E30 |
-87.51 |
4.73 |
-8.82 |
-0.16 |
0 |
|
|
70681 |
48413714 |
1 |
N2O5C23H28 |
A2B5C23D28 |
-157.84 |
5.64 |
-8.66 |
0.03 |
0 |
|
|
70682 |
48413715 |
2 |
NO2C9H13 |
AB2C9D13 |
-150.1 |
2.81 |
-8.66 |
0.38 |
0 |
|
|
70683 |
48413716 |
1 |
N2O4C23H30 |
A2B4C23D30 |
-130.89 |
4.92 |
-8.62 |
-0.06 |
0 |
|
|
70684 |
48413717 |
1 |
N2O4C23H30 |
A2B4C23D30 |
-129.31 |
1.94 |
-8.69 |
0.08 |
0 |
|
|
70685 |
48413718 |
1 |
BrN2O3C20H23 |
AB2C3D20E23 |
-72.78 |
4.22 |
-8.87 |
-0.5 |
0 |
|
|
70686 |
48413719 |
1 |
N2O3C21H26 |
A2B3C21D26 |
-82.19 |
6.45 |
-8.8 |
-0.18 |
0 |
|
|
70687 |
48413721 |
1 |
O3N4C18H22 |
A3B4C18D22 |
-50.27 |
6.48 |
-8.74 |
-1.13 |
0 |
|
|
70688 |
48413724 |
1 |
N3O3C22H29 |
A3B3C22D29 |
-74.96 |
5.87 |
-8.43 |
-0.13 |
0 |
|
|
70689 |
48413726 |
1 |
N2O3C25H28 |
A2B3C25D28 |
-67.86 |
6.59 |
-8.52 |
-0.74 |
0 |
|
|
70690 |
48413727 |
1 |
N3O6C21H25 |
A3B6C21D25 |
-119.04 |
3.82 |
-8.64 |
-1.43 |
0 |
|
|
70691 |
48413728 |
1 |
SN3O3C21H23 |
AB3C3D21E23 |
-45.32 |
2.91 |
-8.77 |
-1.22 |
0 |
|
|
70692 |
48413729 |
1 |
SN2O4C21H26 |
AB2C4D21E26 |
-114.46 |
4.01 |
-8.78 |
-1.02 |
0 |
|
|
70693 |
48413730 |
1 |
N2O3C16H24 |
A2B3C16D24 |
-114.43 |
5.74 |
-8.73 |
0.06 |
0 |
|
|
70694 |
48413731 |
2 |
N2O2C11H15 |
A2B2C11D15 |
-110.68 |
5.19 |
-8.9 |
-0.99 |
0 |
|
|
70695 |
48413732 |
1 |
SN2O3C23H30 |
AB2C3D23E30 |
-92.91 |
5.77 |
-8.71 |
-0.02 |
0 |
|
|
70696 |
48413733 |
1 |
N3O5C21H27 |
A3B5C21D27 |
-153.19 |
4.6 |
-8.92 |
-0.29 |
0 |
|
|
70697 |
48413736 |
1 |
SN3O3C19H25 |
AB3C3D19E25 |
-81.09 |
5.62 |
-8.61 |
-0.59 |
0 |
|
|
70698 |
48413737 |
1 |
SN2O3C22H28 |
AB2C3D22E28 |
-71.42 |
3.74 |
-8.05 |
-0.41 |
0 |
|
|
70699 |
48413738 |
1 |
N2O4C23H30 |
A2B4C23D30 |
-131.65 |
5.8 |
-8.69 |
0.15 |
0 |
|
|
70700 |
48413739 |
1 |
SN2O5C21H26 |
AB2C5D21E26 |
-156.83 |
5.46 |
-9.05 |
-0.74 |
0 |
|
|
70701 |
48413742 |
1 |
O3N4C23H28 |
A3B4C23D28 |
-52.15 |
8.8 |
-8.89 |
-0.09 |
0 |
|
|
70702 |
48413744 |
1 |
N3O5C20H25 |
A3B5C20D25 |
-151.43 |
5.23 |
-8.67 |
-0.39 |
0 |
|
|
70703 |
48413746 |
1 |
F2N2O4C21H24 |
A2B2C4D21E24 |
-203.12 |
4.55 |
-8.76 |
-0.72 |
0 |
|
|
70704 |
48413750 |
1 |
O2N6H20C23 |
A2B6C20D23 |
82.56 |
5.35 |
-9.42 |
-1.08 |
0 |
|
|
70705 |
48413751 |
1 |
FO3N5C17H18 |
AB3C5D17E18 |
-117.4 |
6.56 |
-9.56 |
-0.46 |
0 |
|
|
70706 |
48413752 |
1 |
O2N5C21H21 |
A2B5C21D21 |
19.24 |
4.6 |
-9.05 |
-0.62 |
0 |
|
|
70707 |
48413754 |
1 |
O2N5C21H21 |
A2B5C21D21 |
21.94 |
6.03 |
-9.11 |
-0.67 |
0 |
|
|
70708 |
48413755 |
1 |
OSF2N3C13H13 |
ABC2D3E13F13 |
-87.32 |
5.29 |
-9.69 |
-1.04 |
0 |
|
|
70709 |
48413756 |
1 |
OSN6H16C18 |
ABC6D16E18 |
107.73 |
7.77 |
-9.52 |
-0.99 |
0 |
|
|
70710 |
48413757 |
1 |
O3N5C14H17 |
A3B5C14D17 |
-4.86 |
6.72 |
-8.99 |
-1.0 |
0 |
|
|
70711 |
48413760 |
1 |
O2N5C15H25 |
A2B5C15D25 |
-88.76 |
4.6 |
-9.56 |
0.49 |
0 |
|
|
70712 |
48413762 |
1 |
O2N5C19H23 |
A2B5C19D23 |
10.01 |
7.2 |
-9.45 |
-0.89 |
0 |
|
|
70713 |
48413763 |
1 |
ClSO3N5C16H20 |
ABC3D5E16F20 |
-61.0 |
6.15 |
-9.3 |
-1.08 |
0 |
|
|
70714 |
48413764 |
1 |
O2F3N5C13H16 |
A2B3C5D13E16 |
-193.97 |
2.83 |
-9.61 |
0.18 |
0 |
|
|
70715 |
48413766 |
1 |
OSN5H19C20 |
ABC5D19E20 |
70.99 |
4.44 |
-8.8 |
-0.7 |
0 |
|
|
70716 |
48413767 |
1 |
ClO2N5H16C19 |
AB2C5D16E19 |
49.36 |
4.35 |
-9.4 |
-1.1 |
0 |
|
|
70717 |
48413768 |
1 |
O2N3C20H21 |
A2B3C20D21 |
-9.54 |
3.88 |
-8.99 |
-0.11 |
0 |
|
|
70718 |
48413769 |
1 |
OSN5C18H23 |
ABC5D18E23 |
5.15 |
2.69 |
-9.07 |
-1.13 |
0 |
|
|
70719 |
48413770 |
1 |
OSN4H16C17 |
ABC4D16E17 |
50.49 |
2.19 |
-9.08 |
-0.88 |
0 |
|
|
70720 |
48413771 |
1 |
OSN4C19H20 |
ABC4D19E20 |
32.28 |
4.81 |
-8.79 |
-0.66 |
0 |
|
|
70721 |
48413772 |
1 |
O2N3C15H21 |
A2B3C15D21 |
-72.97 |
3.17 |
-9.59 |
0.5 |
0 |
|
|
70722 |
48413775 |
1 |
ClFO2N4H14C16 |
ABC2D4E14F16 |
-28.63 |
4.74 |
-9.74 |
-0.94 |
0 |
|
|
70723 |
48413776 |
1 |
O2N6C19H20 |
A2B6C19D20 |
39.05 |
2.22 |
-9.17 |
-1.13 |
0 |
|
|
70724 |
48413777 |
1 |
OSN6C19H20 |
ABC6D19E20 |
77.86 |
6.34 |
-9.21 |
-1.08 |
0 |
|
|
70725 |
48413779 |
1 |
ON4C18H20 |
AB4C18D20 |
25.03 |
0.6 |
-8.49 |
-0.82 |
0 |
|
|
70726 |
48413780 |
2 |
ON2C9H10 |
AB2C9D10 |
-13.7 |
3.24 |
-8.89 |
-0.55 |
0 |
|
|
70727 |
48413781 |
1 |
N3O4C19H21 |
A3B4C19D21 |
-116.52 |
8.11 |
-9.22 |
-0.96 |
0 |
|
|
70728 |
48413782 |
1 |
O3N5H15C17 |
A3B5C15D17 |
30.28 |
7.52 |
-9.45 |
-1.51 |
0 |
|
|
70729 |
48413783 |
1 |
O2F3N3C15H16 |
A2B3C3D15E16 |
-189.24 |
3.33 |
-9.72 |
-0.41 |
0 |
|
|
70730 |
48413785 |
1 |
SO3N5C18H23 |
AB3C5D18E23 |
-52.88 |
5.32 |
-9.43 |
-1.26 |
0 |
|
|
70731 |
48413787 |
1 |
FON5C19H20 |
ABC5D19E20 |
-3.69 |
4.52 |
-9.25 |
-0.79 |
0 |
|
|
70732 |
48413789 |
1 |
OSN6C20H22 |
ABC6D20E22 |
62.71 |
4.03 |
-9.09 |
-1.03 |
0 |
|
|
70733 |
48413791 |
1 |
FON5H14C15 |
ABC5D14E15 |
7.03 |
7.28 |
-9.61 |
-0.89 |
0 |
|
|
70734 |
48413792 |
1 |
O3N5C17H17 |
A3B5C17D17 |
-22.33 |
5.41 |
-9.09 |
-0.58 |
0 |
|
|
70735 |
48413795 |
1 |
FO2N4C17H17 |
AB2C4D17E17 |
-50.13 |
5.47 |
-9.35 |
-1.0 |
0 |
|
|
70736 |
48413797 |
1 |
SO2N4C18H20 |
AB2C4D18E20 |
-7.78 |
9.08 |
-8.85 |
-0.83 |
0 |
|
|
70737 |
48413798 |
1 |
O3N5C17H19 |
A3B5C17D19 |
-12.19 |
2.56 |
-9.02 |
-0.68 |
0 |
|
|
70738 |
48413799 |
1 |
O3N5C23H23 |
A3B5C23D23 |
10.82 |
5.41 |
-8.22 |
-0.72 |
0 |
|
|
70739 |
48413801 |
1 |
N3O3C19H19 |
A3B3C19D19 |
-30.51 |
5.49 |
-8.89 |
-0.35 |
0 |
|
|
70740 |
48413802 |
1 |
SO2N5C21H21 |
AB2C5D21E21 |
9.93 |
2.21 |
-8.5 |
-0.82 |
0 |
|
|
70741 |
48413803 |
1 |
O3N4C15H18 |
A3B4C15D18 |
-65.76 |
4.37 |
-9.09 |
0.12 |
0 |
|
|
70742 |
48413804 |
1 |
S2O3N4C17H24 |
A2B3C4D17E24 |
-84.34 |
6.63 |
-8.75 |
-0.58 |
0 |
|
|
70743 |
48413805 |
1 |
ClSO3N4C19H19 |
ABC3D4E19F19 |
-43.5 |
3.3 |
-9.6 |
-1.14 |
0 |
|
|
70744 |
48413806 |
1 |
SO3N4C20H22 |
AB3C4D20E22 |
-49.84 |
8.98 |
-9.34 |
-0.72 |
0 |
|
|
70745 |
48413807 |
1 |
SO3N4C20H22 |
AB3C4D20E22 |
-58.55 |
6.27 |
-8.99 |
-0.76 |
0 |
|
|
70746 |
48413808 |
1 |
FSO3N4C19H19 |
ABC3D4E19F19 |
-93.84 |
2.01 |
-9.08 |
-1.02 |
0 |
|
|
70747 |
48413809 |
1 |
O2N3C18H21 |
A2B3C18D21 |
-44.39 |
5.0 |
-9.34 |
-0.63 |
0 |
|
|
70748 |
48413812 |
1 |
SO2N4C12H16 |
AB2C4D12E16 |
-52.93 |
4.51 |
-8.83 |
-0.25 |
0 |
|
|
70749 |
48413813 |
1 |
O2N3C17H25 |
A2B3C17D25 |
-100.02 |
4.02 |
-9.35 |
0.72 |
0 |
|
|
70750 |
48413814 |
1 |
SF3O3N4C15H17 |
AB3C3D4E15F17 |
-223.56 |
0.99 |
-9.54 |
-1.21 |
0 |
|
|
70751 |
48413815 |
1 |
SO3N4C19H24 |
AB3C4D19E24 |
-59.78 |
5.77 |
-9.32 |
-0.74 |
0 |