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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
348685 |
127273796 |
1 |
S2O4N5C13H23 |
A2B4C5D13E23 |
-134.84 |
11.12 |
-8.88 |
0.06 |
0 |
|
|
348686 |
127273797 |
1 |
O3N5C19H27 |
A3B5C19D27 |
-117.77 |
6.41 |
-9.18 |
-0.5 |
0 |
|
|
348687 |
127273798 |
1 |
SO2N3C13H23 |
AB2C3D13E23 |
-79.98 |
7.8 |
-8.99 |
0.25 |
0 |
|
|
348688 |
127273799 |
1 |
SO2N4C14H24 |
AB2C4D14E24 |
-63.57 |
8.02 |
-8.24 |
0.22 |
0 |
|
|
348689 |
127273800 |
1 |
O3N5C17H25 |
A3B5C17D25 |
-109.79 |
3.3 |
-9.23 |
-0.43 |
0 |
|
|
348690 |
127273801 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-118.45 |
11.44 |
-8.78 |
-0.07 |
0 |
|
|
348691 |
127273802 |
2 |
SN2O2C5H9 |
AB2C2D5E9 |
-120.27 |
7.39 |
-9.7 |
-0.02 |
0 |
|
|
348692 |
127273803 |
1 |
S2O4N5C14H19 |
A2B4C5D14E19 |
-93.32 |
10.89 |
-8.93 |
-0.93 |
0 |
|
|
348693 |
127273804 |
1 |
SO2N3C13H23 |
AB2C3D13E23 |
-77.37 |
8.99 |
-9.15 |
0.27 |
0 |
|
|
348694 |
127273805 |
1 |
SO2N3C12H21 |
AB2C3D12E21 |
-82.78 |
8.22 |
-9.38 |
0.21 |
0 |
|
|
348695 |
127273806 |
1 |
SO3N4C14H26 |
AB3C4D14E26 |
-109.88 |
9.98 |
-8.78 |
0.24 |
0 |
|
|
348696 |
127273807 |
1 |
SO2N3C12H21 |
AB2C3D12E21 |
-74.84 |
7.96 |
-8.99 |
0.25 |
0 |
|
|
348697 |
127273808 |
1 |
O2S2N4C15H26 |
A2B2C4D15E26 |
-62.76 |
8.92 |
-8.25 |
0.08 |
0 |
|
|
348698 |
127273809 |
1 |
SO2N4C13H22 |
AB2C4D13E22 |
-59.84 |
10.56 |
-8.53 |
0.12 |
0 |
|
|
348699 |
127273810 |
1 |
O2N3C16H23 |
A2B3C16D23 |
-82.1 |
6.3 |
-9.1 |
-0.28 |
0 |
|
|
348700 |
127273811 |
1 |
SO2N4C19H28 |
AB2C4D19E28 |
-42.52 |
8.23 |
-8.3 |
0.15 |
0 |
|
|
348701 |
127273812 |
2 |
ON2C7H10 |
AB2C7D10 |
-63.8 |
7.27 |
-9.06 |
-0.21 |
0 |
|
|
348702 |
127273813 |
1 |
SO2N6C17H26 |
AB2C6D17E26 |
-25.01 |
6.62 |
-8.22 |
0.08 |
0 |
|
|
348703 |
127273814 |
1 |
O2S2N3C10H17 |
A2B2C3D10E17 |
-56.3 |
9.79 |
-8.33 |
0.1 |
0 |
|
|
348704 |
127273815 |
1 |
SO2N4C15H26 |
AB2C4D15E26 |
-70.66 |
10.9 |
-8.44 |
0.24 |
0 |
|
|
348705 |
127273816 |
1 |
SO2N4C17H30 |
AB2C4D17E30 |
-74.75 |
8.55 |
-8.33 |
0.19 |
0 |
|
|
348706 |
127273817 |
1 |
SO2N3C14H23 |
AB2C3D14E23 |
-73.45 |
9.32 |
-8.96 |
0.25 |
0 |
|
|
348707 |
127273818 |
1 |
SO2N3C11H17 |
AB2C3D11E17 |
-48.33 |
9.09 |
-8.99 |
0.26 |
0 |
|
|
348708 |
127273819 |
1 |
SO2N4C19H28 |
AB2C4D19E28 |
-43.97 |
9.77 |
-8.42 |
0.12 |
0 |
|
|
348709 |
127273820 |
1 |
SO2N3C12H21 |
AB2C3D12E21 |
-83.04 |
7.51 |
-9.31 |
0.28 |
0 |
|
|
348710 |
127273821 |
1 |
SO2N4C16H28 |
AB2C4D16E28 |
-66.93 |
6.63 |
-7.97 |
0.23 |
0 |
|
|
348711 |
127273822 |
1 |
S2O3N4C14H24 |
A2B3C4D14E24 |
-93.01 |
11.05 |
-8.35 |
0.0 |
0 |
|
|
348712 |
127273823 |
1 |
SO2N3C12H21 |
AB2C3D12E21 |
-74.88 |
9.14 |
-8.9 |
0.27 |
0 |
|
|
348713 |
127273824 |
1 |
SO2N4C18H26 |
AB2C4D18E26 |
-38.47 |
9.65 |
-8.7 |
0.16 |
0 |
|
|
348714 |
127273825 |
1 |
SO2N3C12H21 |
AB2C3D12E21 |
-76.12 |
7.56 |
-8.9 |
0.28 |
0 |
|
|
348715 |
127273826 |
1 |
SO2N4C19H28 |
AB2C4D19E28 |
-39.85 |
9.39 |
-8.59 |
0.15 |
0 |
|
|
348716 |
127273827 |
1 |
SO3N4C16H28 |
AB3C4D16E28 |
-110.48 |
8.3 |
-8.7 |
0.21 |
0 |
|
|
348717 |
127273828 |
1 |
SN3O3C15H25 |
AB3C3D15E25 |
-120.21 |
10.15 |
-9.02 |
0.18 |
0 |
|
|
348718 |
127273829 |
1 |
SO2N4C13H24 |
AB2C4D13E24 |
-71.63 |
8.54 |
-8.47 |
0.15 |
0 |
|
|
348719 |
127273830 |
1 |
SO2N3C13H23 |
AB2C3D13E23 |
-85.41 |
7.43 |
-9.08 |
0.28 |
0 |
|
|
348720 |
127273831 |
1 |
SO2N3C10H17 |
AB2C3D10E17 |
-67.44 |
7.26 |
-9.2 |
0.28 |
0 |
|
|
348721 |
127273832 |
1 |
S2O3N4C16H26 |
A2B3C4D16E26 |
-118.13 |
7.42 |
-8.72 |
0.19 |
0 |
|
|
348722 |
127273833 |
1 |
SO2N3C12H21 |
AB2C3D12E21 |
-78.64 |
9.09 |
-8.95 |
0.27 |
0 |
|
|
348723 |
127273834 |
1 |
SN2O4C12H24 |
AB2C4D12E24 |
-176.87 |
4.9 |
-8.83 |
0.31 |
0 |
|
|
348724 |
127273835 |
1 |
SN2O4C13H26 |
AB2C4D13E26 |
-182.28 |
5.24 |
-8.85 |
0.34 |
0 |
|
|
348725 |
127273836 |
1 |
SN4O4C14H20 |
AB4C4D14E20 |
-70.51 |
4.73 |
-8.96 |
-1.37 |
0 |
|
|
348726 |
127273837 |
1 |
SN3O3C16H25 |
AB3C3D16E25 |
-95.17 |
5.32 |
-8.71 |
-0.17 |
0 |
|
|
348727 |
127273838 |
1 |
SN3O3C14H29 |
AB3C3D14E29 |
-139.16 |
4.75 |
-8.64 |
0.02 |
0 |
|
|
348728 |
127273839 |
1 |
S2N3O4C16H25 |
A2B3C4D16E25 |
-144.41 |
5.39 |
-9.21 |
-0.33 |
0 |
|
|
348729 |
127273840 |
1 |
SO3N4C12H20 |
AB3C4D12E20 |
-99.81 |
2.86 |
-9.51 |
0.07 |
0 |
|
|
348730 |
127273841 |
1 |
SO3N4C13H22 |
AB3C4D13E22 |
-104.51 |
6.98 |
-9.4 |
0.25 |
0 |
|
|
348731 |
127273842 |
1 |
SO3N6C14H16 |
AB3C6D14E16 |
4.86 |
4.74 |
-9.55 |
-1.52 |
0 |
|
|
348732 |
127273843 |
1 |
FSO2N5C12H14 |
ABC2D5E12F14 |
-46.93 |
0.94 |
-9.61 |
-1.52 |
0 |
|
|
348733 |
127273844 |
1 |
SO3N4C17H26 |
AB3C4D17E26 |
-99.31 |
4.54 |
-9.48 |
0.08 |
0 |
|
|
348734 |
127273845 |
1 |
SO2N5C16H21 |
AB2C5D16E21 |
-14.79 |
2.68 |
-9.43 |
-0.39 |
0 |
|
|
348735 |
127273846 |
1 |
SO2N5C13H23 |
AB2C5D13E23 |
-60.82 |
1.4 |
-9.55 |
-0.18 |
0 |
|
|
348736 |
127273847 |
1 |
SO2N5C14H25 |
AB2C5D14E25 |
-63.25 |
1.95 |
-9.52 |
-0.24 |
0 |
|
|
348737 |
127273848 |
1 |
SO2N5C13H23 |
AB2C5D13E23 |
-56.27 |
2.11 |
-9.51 |
-0.27 |
0 |
|
|
348738 |
127273849 |
1 |
SO2N5C14H25 |
AB2C5D14E25 |
-59.12 |
4.92 |
-9.5 |
-0.23 |
0 |
|
|
348739 |
127273850 |
1 |
SO2N5C14H25 |
AB2C5D14E25 |
-39.16 |
3.76 |
-9.51 |
-0.24 |
0 |
|
|
348740 |
127273851 |
1 |
SO2N5C13H23 |
AB2C5D13E23 |
-61.24 |
1.76 |
-9.52 |
-0.19 |
0 |
|
|
348741 |
127273852 |
1 |
SO3N5C13H23 |
AB3C5D13E23 |
-95.62 |
2.44 |
-9.53 |
-0.47 |
0 |
|
|
348742 |
127273853 |
1 |
SO3N5C11H19 |
AB3C5D11E19 |
-79.12 |
3.39 |
-9.42 |
-0.49 |
0 |
|
|
348743 |
127273854 |
1 |
SO2N4C19H26 |
AB2C4D19E26 |
-40.56 |
3.78 |
-9.44 |
-0.55 |
0 |
|
|
348744 |
127273855 |
1 |
Cl2O2S2N4C11H12 |
A2B2C2D4E11F12 |
-9.35 |
2.23 |
-9.55 |
-1.49 |
0 |
|
|
348745 |
127273856 |
1 |
O3N4C17H22 |
A3B4C17D22 |
-84.81 |
5.14 |
-8.63 |
-0.84 |
0 |
|
|
348746 |
127273857 |
1 |
N3O3C14H25 |
A3B3C14D25 |
-142.46 |
2.62 |
-8.7 |
0.68 |
0 |
|
|
348747 |
127273858 |
1 |
SN3O3C18H27 |
AB3C3D18E27 |
-115.47 |
6.33 |
-8.78 |
-0.85 |
0 |
|
|
348748 |
127273859 |
1 |
OSN6C17H20 |
ABC6D17E20 |
41.63 |
4.06 |
-8.93 |
-0.64 |
0 |
|
|
348749 |
127273860 |
1 |
O3N5C19H23 |
A3B5C19D23 |
-68.19 |
4.45 |
-9.37 |
-0.46 |
0 |
|
|
348750 |
127273861 |
1 |
O2N5C16H25 |
A2B5C16D25 |
-79.54 |
4.51 |
-9.35 |
0.47 |
0 |
|
|
348751 |
127273862 |
1 |
O2N5C21H31 |
A2B5C21D31 |
-92.45 |
4.25 |
-9.38 |
0.47 |
0 |
|
|
348752 |
127273863 |
1 |
SO2N5C18H23 |
AB2C5D18E23 |
-43.6 |
8.39 |
-9.27 |
-1.02 |
0 |
|
|
348753 |
127273864 |
1 |
O2N3C19H33 |
A2B3C19D33 |
-130.73 |
1.14 |
-8.97 |
1.14 |
0 |
|
|
348754 |
127273865 |
1 |
O3N4C20H34 |
A3B4C20D34 |
-166.87 |
4.27 |
-8.41 |
0.78 |
0 |
|
|
348755 |
127273866 |
1 |
O2N4C21H30 |
A2B4C21D30 |
-93.3 |
6.66 |
-8.35 |
0.29 |
0 |
|
|
348756 |
127273867 |
1 |
SN3O3C18H29 |
AB3C3D18E29 |
-123.68 |
6.18 |
-8.67 |
0.56 |
0 |
|
|
348757 |
127273868 |
1 |
O3N4C15H28 |
A3B4C15D28 |
-147.74 |
3.2 |
-8.71 |
0.88 |
0 |
|
|
348758 |
127273869 |
1 |
ON5C14H23 |
AB5C14D23 |
-35.21 |
2.43 |
-9.48 |
0.52 |
0 |
|
|
348759 |
127273870 |
1 |
O2N5C13H21 |
A2B5C13D21 |
-65.17 |
4.08 |
-9.44 |
0.57 |
0 |
|
|
348760 |
127273871 |
1 |
ON6C15H26 |
AB6C15D26 |
-27.54 |
4.65 |
-9.06 |
0.58 |
0 |
|
|
348761 |
127273872 |
1 |
O3N5C11H19 |
A3B5C11D19 |
-66.05 |
2.82 |
-9.08 |
-0.52 |
0 |
|
|
348762 |
127273873 |
1 |
BrO2N5C15H18 |
AB2C5D15E18 |
-32.43 |
2.24 |
-9.36 |
-0.9 |
0 |
|
|
348763 |
127273874 |
1 |
O2N5C20H25 |
A2B5C20D25 |
-36.65 |
4.94 |
-9.53 |
0.21 |
0 |
|
|
348764 |
127273875 |
2 |
ON3C9H11 |
AB3C9D11 |
-31.43 |
5.76 |
-8.4 |
-0.11 |
0 |
|
|
348765 |
127273876 |
1 |
O2N6C19H24 |
A2B6C19D24 |
-30.46 |
4.81 |
-9.26 |
-0.33 |
0 |
|
|
348766 |
127273877 |
1 |
O3N6C19H24 |
A3B6C19D24 |
-70.45 |
5.94 |
-8.2 |
-0.08 |
0 |
|
|
348767 |
127273878 |
1 |
O2N5C19H25 |
A2B5C19D25 |
-39.64 |
2.6 |
-8.43 |
0.01 |
0 |
|
|
348768 |
127273879 |
1 |
O2N6C21H30 |
A2B6C21D30 |
-38.57 |
1.48 |
-9.02 |
-0.27 |
0 |
|
|
348769 |
127273880 |
2 |
ON3C10H14 |
AB3C10D14 |
-39.08 |
2.53 |
-8.81 |
-0.09 |
0 |
|
|
348770 |
127273881 |
1 |
O2N6C21H28 |
A2B6C21D28 |
-45.41 |
4.56 |
-9.2 |
-0.33 |
0 |
|
|
348771 |
127273882 |
1 |
ON6C16H28 |
AB6C16D28 |
-28.21 |
3.77 |
-8.72 |
0.5 |
0 |
|
|
348772 |
127273883 |
1 |
ClO2N5C19H24 |
AB2C5D19E24 |
-47.37 |
2.43 |
-8.52 |
-0.29 |
0 |
|
|
348773 |
127273884 |
1 |
O3N6C19H22 |
A3B6C19D22 |
-78.22 |
4.16 |
-8.91 |
-0.44 |
0 |
|
|
348774 |
127273885 |
1 |
OSN6C18H22 |
ABC6D18E22 |
20.86 |
1.51 |
-8.94 |
-0.72 |
0 |
|
|
348775 |
127273886 |
1 |
O2N5C22H31 |
A2B5C22D31 |
-56.42 |
3.96 |
-8.87 |
0.11 |
0 |
|
|
348776 |
127273887 |
1 |
OSN6C18H20 |
ABC6D18E20 |
52.83 |
0.83 |
-8.88 |
-0.75 |
0 |
|
|
348777 |
127273888 |
1 |
OSN5C21H29 |
ABC5D21E29 |
-13.63 |
4.14 |
-8.48 |
-0.25 |
0 |
|
|
348778 |
127273889 |
1 |
O2N5C21H29 |
A2B5C21D29 |
-48.14 |
2.61 |
-8.44 |
0.03 |
0 |
|
|
348779 |
127273890 |
1 |
SO3N5C17H21 |
AB3C5D17E21 |
-60.33 |
3.35 |
-8.56 |
-0.43 |
0 |
|
|
348780 |
127273891 |
1 |
OSN6C18H20 |
ABC6D18E20 |
42.36 |
0.37 |
-8.99 |
-0.85 |
0 |
|
|
348781 |
127273892 |
1 |
SO2N6C17H20 |
AB2C6D17E20 |
-8.43 |
3.54 |
-8.63 |
-0.76 |
0 |
|
|
348782 |
127273893 |
1 |
BrO2N3C16H22 |
AB2C3D16E22 |
-70.9 |
2.67 |
-8.4 |
-0.24 |
0 |
|
|
348783 |
127273894 |
1 |
BrN2O3C18H25 |
AB2C3D18E25 |
-127.04 |
1.93 |
-8.44 |
-0.27 |
0 |
|
|
348784 |
127273895 |
1 |
ON5C18H27 |
AB5C18D27 |
-43.38 |
3.63 |
-9.45 |
0.56 |
0 |