List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
79102 |
49746803 |
1 |
O3N5C21H21 |
A3B5C21D21 |
34.24 |
3.25 |
-9.73 |
-1.55 |
0 |
|
|
79103 |
49746804 |
1 |
O2N7H17C20 |
A2B7C17D20 |
121.82 |
6.84 |
-9.41 |
-1.58 |
0 |
|
|
79104 |
49746805 |
1 |
SO2N9C13H13 |
AB2C9D13E13 |
138.34 |
4.03 |
-9.38 |
-1.48 |
0 |
|
|
79105 |
49746806 |
1 |
ClO2N5H14C18 |
AB2C5D14E18 |
88.69 |
4.77 |
-9.67 |
-1.48 |
0 |
|
|
79106 |
49746807 |
1 |
FO2N7H14C19 |
AB2C7D14E19 |
81.44 |
3.37 |
-9.32 |
-1.28 |
0 |
|
|
79107 |
49746808 |
1 |
O3N7H17C20 |
A3B7C17D20 |
88.89 |
2.65 |
-8.89 |
-1.61 |
0 |
|
|
79108 |
49746810 |
1 |
O3N7H11C14 |
A3B7C11D14 |
66.21 |
3.47 |
-10.16 |
-1.6 |
0 |
|
|
79109 |
49746811 |
1 |
SO2N7H13C17 |
AB2C7D13E17 |
134.78 |
4.8 |
-9.6 |
-1.48 |
0 |
|
|
79110 |
49746813 |
1 |
O3N7H13C17 |
A3B7C13D17 |
98.02 |
4.61 |
-9.43 |
-1.43 |
0 |
|
|
79111 |
49746814 |
1 |
O4N7H19C21 |
A4B7C19D21 |
50.34 |
2.61 |
-8.36 |
-1.47 |
0 |
|
|
79112 |
49746815 |
2 |
ON3H9C10 |
AB3C9D10 |
91.19 |
3.88 |
-8.45 |
-1.49 |
0 |
|
|
79113 |
49746833 |
1 |
SO2N5H13C16 |
AB2C5D13E16 |
103.69 |
3.78 |
-9.41 |
-1.52 |
0 |
|
|
79114 |
49746835 |
1 |
O2N7H17C20 |
A2B7C17D20 |
121.98 |
5.04 |
-9.63 |
-1.13 |
0 |
|
|
79115 |
49746844 |
1 |
O2N5C14H17 |
A2B5C14D17 |
35.67 |
2.55 |
-9.94 |
-1.48 |
0 |
|
|
79116 |
49746852 |
1 |
O2N5C16H19 |
A2B5C16D19 |
35.25 |
3.2 |
-9.8 |
-1.18 |
0 |
|
|
79117 |
49746881 |
1 |
FO2N5H12C16 |
AB2C5D12E16 |
39.01 |
4.06 |
-10.01 |
-1.52 |
0 |
|
|
79118 |
49746883 |
1 |
FO2N5H12C16 |
AB2C5D12E16 |
37.36 |
3.31 |
-10.09 |
-1.46 |
0 |
|
|
79119 |
49746884 |
1 |
ClO2N5H12C16 |
AB2C5D12E16 |
77.28 |
3.81 |
-9.9 |
-1.45 |
0 |
|
|
79120 |
49746897 |
1 |
ClO3N5H14C17 |
AB3C5D14E17 |
37.44 |
5.75 |
-9.25 |
-1.46 |
0 |
|
|
79121 |
49746904 |
1 |
O2N5H15C20 |
A2B5C15D20 |
102.86 |
4.0 |
-9.19 |
-1.23 |
0 |
|
|
79122 |
49746908 |
1 |
O2N5H15C18 |
A2B5C15D18 |
98.43 |
3.45 |
-9.6 |
-1.22 |
0 |
|
|
79123 |
49746909 |
1 |
O4N5H19C20 |
A4B5C19D20 |
22.21 |
2.28 |
-8.56 |
-1.3 |
0 |
|
|
79124 |
49746974 |
1 |
SO2N7H11C13 |
AB2C7D11E13 |
112.35 |
3.69 |
-9.97 |
-1.55 |
0 |
|
|
79125 |
49746976 |
1 |
O3N7H19C21 |
A3B7C19D21 |
49.52 |
7.13 |
-9.35 |
-1.23 |
0 |
|
|
79126 |
49746977 |
1 |
O3N6H14C19 |
A3B6C14D19 |
113.02 |
3.0 |
-9.67 |
-1.51 |
0 |
|
|
79127 |
49746979 |
1 |
O2N6H12C15 |
A2B6C12D15 |
95.91 |
3.95 |
-10.17 |
-1.52 |
0 |
|
|
79128 |
49746986 |
1 |
O2N7H13C18 |
A2B7C13D18 |
128.58 |
4.81 |
-10.0 |
-1.57 |
0 |
|
|
79129 |
49747025 |
1 |
BrFON5H13C16 |
ABCD5E13F16 |
77.56 |
1.14 |
-9.71 |
-1.35 |
0 |
|
|
79130 |
49747032 |
1 |
O3N5C18H19 |
A3B5C18D19 |
47.46 |
1.75 |
-8.82 |
-1.31 |
0 |
|
|
79131 |
49747040 |
1 |
ON5C19H21 |
AB5C19D21 |
103.31 |
3.15 |
-9.25 |
-1.3 |
0 |
|
|
79132 |
49747041 |
1 |
ON5C13H17 |
AB5C13D17 |
80.44 |
3.28 |
-9.33 |
-1.14 |
0 |
|
|
79133 |
49747044 |
1 |
ON6H14C17 |
AB6C14D17 |
154.32 |
6.48 |
-9.78 |
-1.13 |
0 |
|
|
79134 |
49747045 |
1 |
O2N5H17C18 |
A2B5C17D18 |
81.8 |
1.38 |
-8.72 |
-1.33 |
0 |
|
|
79135 |
49747046 |
1 |
ON5C17H19 |
AB5C17D19 |
124.76 |
2.95 |
-9.34 |
-1.37 |
0 |
|
|
79136 |
49747047 |
1 |
O2F3N5H14C17 |
A2B3C5D14E17 |
-82.21 |
3.04 |
-9.52 |
-1.25 |
0 |
|
|
79137 |
49747048 |
1 |
O2F3N5H14C17 |
A2B3C5D14E17 |
-82.05 |
3.77 |
-9.65 |
-1.37 |
0 |
|
|
79138 |
49747051 |
1 |
ON5C11H13 |
AB5C11D13 |
90.3 |
3.2 |
-9.38 |
-1.3 |
0 |
|
|
79139 |
49747061 |
2 |
ON3C10H10 |
AB3C10D10 |
77.18 |
3.02 |
-8.63 |
-1.4 |
0 |
|
|
79140 |
49747076 |
1 |
FO2N6H15C17 |
AB2C6D15E17 |
35.38 |
0.55 |
-9.1 |
-1.36 |
0 |
|
|
79141 |
49747078 |
1 |
FO2N6H15C17 |
AB2C6D15E17 |
32.97 |
3.9 |
-9.04 |
-1.47 |
0 |
|
|
79142 |
49747083 |
1 |
Cl2O2N6H14C17 |
A2B2C6D14E17 |
63.96 |
4.77 |
-9.07 |
-1.46 |
0 |
|
|
79143 |
49747088 |
3 |
ON2C6H6 |
AB2C6D6 |
40.48 |
1.97 |
-8.34 |
-1.36 |
0 |
|
|
79144 |
49747092 |
1 |
O4N6C19H20 |
A4B6C19D20 |
2.57 |
2.83 |
-8.3 |
-1.4 |
0 |
|
|
79145 |
49747093 |
1 |
O4N6C19H20 |
A4B6C19D20 |
3.43 |
3.43 |
-8.08 |
-1.42 |
0 |
|
|
79146 |
49747094 |
2 |
O2N3H8C9 |
A2B3C8D9 |
16.45 |
2.77 |
-8.49 |
-1.44 |
0 |
|
|
79147 |
49747095 |
1 |
O4N6H18C19 |
A4B6C18D19 |
6.44 |
2.7 |
-8.38 |
-1.39 |
0 |
|
|
79148 |
49747096 |
1 |
O2F3N6H15C18 |
A2B3C6D15E18 |
-80.27 |
2.54 |
-9.41 |
-1.17 |
0 |
|
|
79149 |
49747098 |
1 |
O2F3N6H15C18 |
A2B3C6D15E18 |
-83.81 |
6.15 |
-9.43 |
-1.52 |
0 |
|
|
79150 |
49747099 |
1 |
ClO2F3N6H14C18 |
AB2C3D6E14F18 |
-89.69 |
4.35 |
-9.43 |
-1.36 |
0 |
|
|
79151 |
49747128 |
2 |
ON3C7H9 |
AB3C7D9 |
40.04 |
1.6 |
-9.86 |
-1.38 |
0 |
|
|
79152 |
49747134 |
2 |
ON3C9H9 |
AB3C9D9 |
82.99 |
3.21 |
-9.34 |
-1.31 |
0 |
|
|
79153 |
49747139 |
1 |
O2N6C13H16 |
A2B6C13D16 |
44.8 |
1.99 |
-9.93 |
-1.42 |
0 |
|
|
79154 |
49747141 |
1 |
ON5H15C16 |
AB5C15D16 |
122.33 |
2.85 |
-9.5 |
-1.31 |
0 |
|
|
79155 |
49747144 |
1 |
ON5C17H17 |
AB5C17D17 |
116.29 |
2.72 |
-9.42 |
-1.25 |
0 |
|
|
79156 |
49747146 |
1 |
ON5C17H17 |
AB5C17D17 |
113.39 |
2.5 |
-9.26 |
-1.32 |
0 |
|
|
79157 |
49747147 |
1 |
ClON5H14C16 |
ABC5D14E16 |
112.09 |
3.41 |
-9.48 |
-1.38 |
0 |
|
|
79158 |
49747155 |
1 |
O4N5H15C16 |
A4B5C15D16 |
13.34 |
3.85 |
-9.81 |
-1.44 |
0 |
|
|
79159 |
49747164 |
1 |
O3N5H17C18 |
A3B5C17D18 |
37.83 |
1.59 |
-9.73 |
-1.14 |
0 |
|
|
79160 |
49747174 |
1 |
OF2N5H13C16 |
AB2C5D13E16 |
30.14 |
3.18 |
-9.76 |
-1.4 |
0 |
|
|
79161 |
49747177 |
2 |
ON3C8H10 |
AB3C8D10 |
31.81 |
4.14 |
-9.83 |
-1.42 |
0 |
|
|
79162 |
49747179 |
1 |
ClO2N6H13C16 |
AB2C6D13E16 |
71.6 |
5.33 |
-9.23 |
-1.53 |
0 |
|
|
79163 |
49747180 |
1 |
ClO2N6H13C16 |
AB2C6D13E16 |
71.17 |
4.39 |
-8.99 |
-1.48 |
0 |
|
|
79164 |
49747184 |
1 |
FO2N6H13C16 |
AB2C6D13E16 |
34.0 |
4.16 |
-9.06 |
-1.53 |
0 |
|
|
79165 |
49747197 |
1 |
O2N6H16C17 |
A2B6C16D17 |
77.86 |
3.42 |
-9.64 |
-1.46 |
0 |
|
|
79166 |
49747198 |
2 |
O2N3C9H9 |
A2B3C9D9 |
6.13 |
3.41 |
-8.86 |
-1.4 |
0 |
|
|
79167 |
49747199 |
1 |
ClO2N6H13C16 |
AB2C6D13E16 |
72.86 |
2.25 |
-9.1 |
-1.49 |
0 |
|
|
79168 |
49747204 |
1 |
O3N6C19H20 |
A3B6C19D20 |
31.23 |
2.63 |
-8.83 |
-1.42 |
0 |
|
|
79169 |
49747207 |
1 |
O2F3N6H13C17 |
A2B3C6D13E17 |
-82.39 |
6.28 |
-9.57 |
-1.6 |
0 |
|
|
79170 |
49747209 |
1 |
O2F3N6H13C17 |
A2B3C6D13E17 |
-79.05 |
1.51 |
-9.5 |
-1.38 |
0 |
|
|
79171 |
49747218 |
1 |
ClO3N6H15C17 |
AB3C6D15E17 |
33.36 |
4.78 |
-8.79 |
-1.46 |
0 |
|
|
79172 |
49747219 |
1 |
O3N6C20H22 |
A3B6C20D22 |
26.71 |
5.38 |
-8.33 |
-1.18 |
0 |
|
|
79173 |
49747224 |
1 |
FO2N3C25H26 |
AB2C3D25E26 |
-25.39 |
4.46 |
-8.53 |
-0.57 |
0 |
|
|
79174 |
49747225 |
1 |
FO3N4C23H25 |
AB3C4D23E25 |
-88.36 |
5.78 |
-8.48 |
-1.17 |
0 |
|
|
79175 |
49747228 |
1 |
ClFSO2N3C21H21 |
ABCD2E3F21G21 |
-38.91 |
3.27 |
-8.4 |
-1.11 |
0 |
|
|
79176 |
49747229 |
1 |
FN4O4H23C24 |
AB4C4D23E24 |
-43.12 |
3.84 |
-8.4 |
-1.11 |
0 |