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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
77052 |
48425753 |
1 |
SN3O3C14H21 |
AB3C3D14E21 |
-110.87 |
3.78 |
-9.34 |
-0.69 |
0 |
|
|
77053 |
48425754 |
1 |
N3O4C21H27 |
A3B4C21D27 |
-122.97 |
1.76 |
-8.72 |
-0.48 |
0 |
|
|
77054 |
48425755 |
1 |
ClO2N4C16H19 |
AB2C4D16E19 |
-42.73 |
5.35 |
-9.32 |
-0.5 |
0 |
|
|
77055 |
48425756 |
1 |
ClO2N4C16H19 |
AB2C4D16E19 |
-36.09 |
3.7 |
-9.27 |
-0.46 |
0 |
|
|
77056 |
48425757 |
1 |
ClO2N4C16H19 |
AB2C4D16E19 |
-43.01 |
6.13 |
-9.08 |
-0.52 |
0 |
|
|
77057 |
48425758 |
1 |
FO2N4C16H19 |
AB2C4D16E19 |
-81.13 |
4.77 |
-9.19 |
-0.59 |
0 |
|
|
77058 |
48425759 |
1 |
O3N4C14H24 |
A3B4C14D24 |
-103.42 |
5.11 |
-9.84 |
-0.16 |
0 |
|
|
77059 |
48425760 |
1 |
SN2O2C13H26 |
AB2C2D13E26 |
-127.53 |
3.45 |
-8.53 |
0.71 |
0 |
|
|
77060 |
48425761 |
1 |
SN2O2C12H24 |
AB2C2D12E24 |
-124.95 |
4.43 |
-8.69 |
0.38 |
0 |
|
|
77061 |
48425762 |
1 |
N2F3O3C15H19 |
A2B3C3D15E19 |
-273.33 |
4.18 |
-9.53 |
-0.56 |
0 |
|
|
77062 |
48425763 |
1 |
N2O4C11H20 |
A2B4C11D20 |
-184.52 |
2.66 |
-9.57 |
0.65 |
0 |
|
|
77063 |
48425764 |
1 |
O2N4C17H22 |
A2B4C17D22 |
-54.08 |
1.77 |
-9.6 |
-1.02 |
0 |
|
|
77064 |
48425765 |
2 |
O2N3C8H12 |
A2B3C8D12 |
-154.15 |
5.79 |
-9.16 |
-0.63 |
0 |
|
|
77065 |
48425766 |
2 |
ON2C6H10 |
AB2C6D10 |
-60.3 |
4.05 |
-9.62 |
0.47 |
0 |
|
|
77066 |
48425767 |
1 |
ClN2O3C15H21 |
AB2C3D15E21 |
-128.97 |
4.45 |
-9.15 |
-0.05 |
0 |
|
|
77067 |
48425768 |
1 |
N3O3C17H21 |
A3B3C17D21 |
-85.38 |
2.71 |
-9.28 |
-0.62 |
0 |
|
|
77068 |
48425769 |
1 |
SN2O2F3C9H15 |
AB2C2D3E9F15 |
-264.11 |
6.0 |
-9.73 |
-0.76 |
0 |
|
|
77069 |
48425770 |
1 |
SN3O4C13H25 |
AB3C4D13E25 |
-197.01 |
8.6 |
-9.22 |
0.6 |
0 |
|
|
77070 |
48425771 |
1 |
N2O3C13H24 |
A2B3C13D24 |
-163.16 |
3.52 |
-9.64 |
0.91 |
0 |
|
|
77071 |
48425772 |
1 |
N2F3O3C11H19 |
A2B3C3D11E19 |
-312.76 |
4.6 |
-9.78 |
0.69 |
0 |
|
|
77072 |
48425773 |
1 |
SN3O3C14H17 |
AB3C3D14E17 |
-65.86 |
1.37 |
-9.24 |
-1.21 |
0 |
|
|
77073 |
48425774 |
1 |
N2O3C17H26 |
A2B3C17D26 |
-138.92 |
3.8 |
-8.36 |
0.47 |
0 |
|
|
77074 |
48425775 |
1 |
F2N2O3C14H18 |
A2B2C3D14E18 |
-200.27 |
4.83 |
-9.12 |
-0.26 |
0 |
|
|
77075 |
48425776 |
1 |
FN2O3C15H21 |
AB2C3D15E21 |
-170.32 |
5.55 |
-9.0 |
-0.16 |
0 |
|
|
77076 |
48425777 |
1 |
SO2N3C17H21 |
AB2C3D17E21 |
-48.06 |
3.41 |
-9.12 |
-0.74 |
0 |
|
|
77077 |
48425778 |
1 |
BrN3O3C13H18 |
AB3C3D13E18 |
-116.64 |
4.65 |
-9.12 |
-0.66 |
0 |
|
|
77078 |
48425779 |
1 |
O2N3C17H21 |
A2B3C17D21 |
-57.49 |
2.82 |
-9.23 |
-0.78 |
0 |
|
|
77079 |
48425780 |
1 |
SO2N4C17H24 |
AB2C4D17E24 |
-61.17 |
5.08 |
-8.65 |
-0.64 |
0 |
|
|
77080 |
48425781 |
1 |
O2F3N5C17H20 |
A2B3C5D17E20 |
-189.69 |
4.98 |
-9.77 |
-1.47 |
0 |
|
|
77081 |
48425782 |
1 |
O2S2N3C14H23 |
A2B2C3D14E23 |
-83.28 |
5.32 |
-8.83 |
-0.36 |
0 |
|
|
77082 |
48425783 |
1 |
F3N3O3C14H18 |
A3B3C3D14E18 |
-268.34 |
4.87 |
-9.76 |
-0.84 |
0 |
|
|
77083 |
48425784 |
1 |
SN3O3C15H19 |
AB3C3D15E19 |
-76.03 |
3.77 |
-9.11 |
-1.13 |
0 |
|
|
77084 |
48425785 |
1 |
O2N3C13H19 |
A2B3C13D19 |
-73.77 |
1.9 |
-9.7 |
-0.48 |
0 |
|
|
77085 |
48425786 |
1 |
SO2N3C10H17 |
AB2C3D10E17 |
-75.19 |
5.55 |
-9.27 |
-0.37 |
0 |
|
|
77086 |
48425787 |
1 |
N3O3C14H25 |
A3B3C14D25 |
-145.46 |
4.12 |
-9.62 |
0.86 |
0 |
|
|
77087 |
48425788 |
1 |
ClN2O3C15H21 |
AB2C3D15E21 |
-134.05 |
5.93 |
-9.22 |
-0.15 |
0 |
|
|
77088 |
48425789 |
1 |
SN3O4C15H29 |
AB3C4D15E29 |
-203.47 |
6.48 |
-9.21 |
0.45 |
0 |
|
|
77089 |
48425790 |
1 |
O3N4C15H28 |
A3B4C15D28 |
-156.32 |
5.41 |
-9.17 |
0.84 |
0 |
|
|
77090 |
48425791 |
1 |
O3N4C15H28 |
A3B4C15D28 |
-156.34 |
3.81 |
-9.24 |
0.71 |
0 |
|
|
77091 |
48425792 |
1 |
O3N4C17H32 |
A3B4C17D32 |
-165.27 |
6.34 |
-9.3 |
0.73 |
0 |
|
|
77092 |
48425793 |
1 |
N2O3C16H24 |
A2B3C16D24 |
-123.8 |
1.2 |
-9.44 |
0.28 |
0 |
|
|
77093 |
48425794 |
1 |
O3N4C17H32 |
A3B4C17D32 |
-169.31 |
6.23 |
-9.25 |
0.76 |
0 |
|
|
77094 |
48425795 |
1 |
N2O3C17H26 |
A2B3C17D26 |
-140.24 |
2.59 |
-8.47 |
0.48 |
0 |
|
|
77095 |
48425797 |
1 |
O2N6C17H22 |
A2B6C17D22 |
15.26 |
8.74 |
-9.72 |
-0.9 |
0 |
|
|
77096 |
48425798 |
2 |
N2O2C9H15 |
A2B2C9D15 |
-210.89 |
3.79 |
-9.36 |
-0.25 |
0 |
|
|
77097 |
48425799 |
1 |
F3O3N6C16H19 |
A3B3C6D16E19 |
-187.5 |
2.56 |
-9.61 |
-1.39 |
0 |
|
|
77098 |
48425800 |
1 |
SN3O4C10H21 |
AB3C4D10E21 |
-183.55 |
3.84 |
-9.54 |
0.1 |
0 |
|
|
77099 |
48425801 |
1 |
N3O3C11H21 |
A3B3C11D21 |
-151.93 |
4.69 |
-9.36 |
0.8 |
0 |
|
|
77100 |
48425802 |
1 |
SN3O4C12H25 |
AB3C4D12E25 |
-199.58 |
7.62 |
-9.81 |
0.26 |
0 |
|
|
77101 |
48425803 |
2 |
NOC6H11 |
ABC6D11 |
-107.93 |
3.19 |
-9.67 |
0.67 |
0 |
|
|
77102 |
48425804 |
1 |
N3O3C16H27 |
A3B3C16D27 |
-116.29 |
3.72 |
-8.98 |
-0.17 |
0 |
|
|
77103 |
48425806 |
4 |
NOC3H5 |
ABC3D5 |
-176.55 |
2.39 |
-9.73 |
0.03 |
0 |
|
|
77104 |
48425807 |
1 |
SO3N4C16H28 |
AB3C4D16E28 |
-161.65 |
2.61 |
-9.06 |
0.06 |
0 |
|
|
77105 |
48425808 |
1 |
SN3O4C13H27 |
AB3C4D13E27 |
-205.15 |
4.28 |
-9.73 |
0.43 |
0 |
|
|
77106 |
48425809 |
1 |
O3N4C17H24 |
A3B4C17D24 |
-112.93 |
8.86 |
-9.41 |
-0.17 |
0 |
|
|
77107 |
48425810 |
1 |
N2O3C15H22 |
A2B3C15D22 |
-119.18 |
5.21 |
-9.37 |
-0.02 |
0 |
|
|
77108 |
48425811 |
1 |
N2F3O3C16H19 |
A2B3C3D16E19 |
-265.42 |
2.47 |
-9.59 |
-0.9 |
0 |
|
|
77109 |
48425813 |
1 |
N3O3C14H23 |
A3B3C14D23 |
-130.3 |
6.39 |
-9.2 |
0.51 |
0 |
|
|
77110 |
48425814 |
1 |
N3O4C14H25 |
A3B4C14D25 |
-193.78 |
3.58 |
-9.47 |
0.42 |
0 |
|
|
77111 |
48425815 |
4 |
NOC3H5 |
ABC3D5 |
-190.07 |
5.86 |
-9.81 |
-0.23 |
0 |
|
|
77112 |
48425816 |
1 |
N3O3C14H25 |
A3B3C14D25 |
-165.15 |
4.47 |
-9.51 |
0.39 |
0 |
|
|
77113 |
48425817 |
1 |
N3O3C15H25 |
A3B3C15D25 |
-135.58 |
5.5 |
-9.38 |
0.62 |
0 |
|
|
77114 |
48425818 |
1 |
N3O3C13H23 |
A3B3C13D23 |
-156.2 |
5.82 |
-9.37 |
0.76 |
0 |
|
|
77115 |
48425820 |
1 |
N3O3C19H27 |
A3B3C19D27 |
-134.75 |
6.84 |
-8.61 |
0.27 |
0 |
|
|
77116 |
48425821 |
1 |
BrN2O3C13H19 |
AB2C3D13E19 |
-129.38 |
1.18 |
-9.27 |
-0.19 |
0 |
|
|
77117 |
48425822 |
1 |
N3O4C16H23 |
A3B4C16D23 |
-143.88 |
2.87 |
-9.37 |
-0.86 |
0 |
|
|
77118 |
48425823 |
1 |
N2O2F3C15H19 |
A2B2C3D15E19 |
-245.12 |
6.84 |
-9.85 |
-0.58 |
0 |
|
|
77119 |
48425824 |
1 |
O2N4C17H22 |
A2B4C17D22 |
-42.8 |
3.43 |
-8.86 |
-0.37 |
0 |
|
|
77120 |
48425825 |
1 |
BrN2O4C18H27 |
AB2C4D18E27 |
-170.46 |
3.52 |
-8.49 |
-0.06 |
0 |
|
|
77121 |
48425826 |
1 |
SN3O3C16H21 |
AB3C3D16E21 |
-104.07 |
2.54 |
-9.22 |
-0.91 |
0 |
|
|
77122 |
48425827 |
1 |
N2O3C17H26 |
A2B3C17D26 |
-132.77 |
3.11 |
-8.97 |
0.3 |
0 |
|
|
77123 |
48425828 |
1 |
SO3N4C15H22 |
AB3C4D15E22 |
-91.06 |
1.77 |
-9.12 |
-0.5 |
0 |
|
|
77124 |
48425829 |
1 |
N2O3C21H26 |
A2B3C21D26 |
-97.62 |
2.88 |
-8.75 |
0.02 |
0 |
|
|
77125 |
48425831 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-139.97 |
7.08 |
-8.61 |
0.25 |
0 |
|
|
77126 |
48425832 |
3 |
NOC4H7 |
ABC4D7 |
-149.05 |
6.21 |
-9.4 |
0.61 |
0 |
|
|
77127 |
48425833 |
1 |
N2O3C18H26 |
A2B3C18D26 |
-132.46 |
2.64 |
-9.03 |
-0.08 |
0 |
|
|
77128 |
48425834 |
1 |
ClN2O3C15H21 |
AB2C3D15E21 |
-129.11 |
5.04 |
-8.88 |
-0.05 |
0 |
|
|
77129 |
48425835 |
1 |
FN3O3C18H24 |
AB3C3D18E24 |
-173.6 |
6.03 |
-8.65 |
0.0 |
0 |
|
|
77130 |
48425836 |
1 |
N2O3C17H26 |
A2B3C17D26 |
-138.16 |
3.17 |
-9.15 |
0.28 |
0 |
|
|
77131 |
48425837 |
1 |
F2N2O2C15H20 |
A2B2C2D15E20 |
-180.58 |
2.18 |
-9.68 |
-0.3 |
0 |
|
|
77132 |
48425838 |
2 |
ON2C9H12 |
AB2C9D12 |
-37.02 |
3.61 |
-9.14 |
-0.45 |
0 |
|
|
77133 |
48425839 |
1 |
Cl2N2O2C11H18 |
A2B2C2D11E18 |
-105.81 |
4.87 |
-9.81 |
0.37 |
0 |
|
|
77134 |
48425840 |
1 |
N2O2C17H26 |
A2B2C17D26 |
-97.33 |
2.67 |
-9.42 |
0.24 |
0 |
|
|
77135 |
48425841 |
1 |
ClSN3O4C17H26 |
ABC3D4E17F26 |
-173.86 |
6.65 |
-9.69 |
-0.96 |
0 |
|
|
77136 |
48425842 |
1 |
FSN3O3C18H24 |
ABC3D3E18F24 |
-168.25 |
3.4 |
-9.2 |
-0.02 |
0 |
|
|
77137 |
48425843 |
1 |
N3O3C14H27 |
A3B3C14D27 |
-177.73 |
6.47 |
-9.73 |
0.6 |
0 |
|
|
77138 |
48425844 |
1 |
FN2O2C18H25 |
AB2C2D18E25 |
-139.07 |
3.45 |
-9.46 |
-0.04 |
0 |
|
|
77139 |
48425845 |
1 |
SN2O3C14H20 |
AB2C3D14E20 |
-115.99 |
3.78 |
-9.41 |
-0.96 |
0 |
|
|
77140 |
48425847 |
1 |
O2F3N4C18H21 |
A2B3C4D18E21 |
-200.85 |
2.8 |
-9.61 |
-1.03 |
0 |
|
|
77141 |
48425848 |
1 |
SO2N3C20H21 |
AB2C3D20E21 |
-17.54 |
3.63 |
-8.44 |
-0.57 |
0 |
|
|
77142 |
48425849 |
1 |
O2N5C14H19 |
A2B5C14D19 |
-18.62 |
5.22 |
-9.32 |
-0.61 |
0 |
|
|
77143 |
48425851 |
1 |
N3O3C19H29 |
A3B3C19D29 |
-145.04 |
4.99 |
-9.48 |
-0.11 |
0 |
|
|
77144 |
48425852 |
1 |
N3O4C20H31 |
A3B4C20D31 |
-183.76 |
5.38 |
-9.19 |
-0.22 |
0 |
|
|
77145 |
48425853 |
1 |
N3O4C19H29 |
A3B4C19D29 |
-177.06 |
4.99 |
-9.17 |
-0.14 |
0 |
|
|
77146 |
48425854 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-131.44 |
4.39 |
-9.55 |
-0.49 |
0 |
|
|
77147 |
48425855 |
1 |
FN4O4C18H23 |
AB4C4D18E23 |
-205.75 |
2.76 |
-9.83 |
-0.39 |
0 |
|
|
77148 |
48425856 |
1 |
N4O4C15H26 |
A4B4C15D26 |
-203.62 |
4.97 |
-9.71 |
0.14 |
0 |
|
|
77149 |
48425858 |
1 |
SN3O4C14H25 |
AB3C4D14E25 |
-190.31 |
7.23 |
-9.1 |
-0.29 |
0 |
|
|
77150 |
48425859 |
1 |
N4O4C19H32 |
A4B4C19D32 |
-219.55 |
4.1 |
-9.67 |
0.04 |
0 |
|
|
77151 |
48425860 |
1 |
SN3O4C18H27 |
AB3C4D18E27 |
-165.67 |
1.3 |
-9.31 |
-0.07 |
0 |