List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
379004 |
134228852 |
2 |
N2C7H17 |
A2B7C17 |
-34.38 |
2.59 |
-8.88 |
2.4 |
0 |
|
|
379005 |
134228853 |
1 |
N2O2C11H12 |
A2B2C11D12 |
-34.43 |
5.54 |
-10.11 |
-1.22 |
0 |
|
|
379006 |
134228861 |
1 |
BrFN2C9H12 |
ABC2D9E12 |
-31.26 |
4.2 |
-8.42 |
-0.21 |
0 |
|
|
379007 |
134228865 |
1 |
O3N4C13H22 |
A3B4C13D22 |
-26.01 |
6.86 |
-8.45 |
-0.56 |
0 |
|
|
379008 |
134228867 |
1 |
O3N4H16C18 |
A3B4C16D18 |
31.16 |
1.65 |
-9.3 |
-1.57 |
0 |
|
|
379009 |
134228870 |
1 |
O3N8C30H38 |
A3B8C30D38 |
-12.21 |
7.22 |
-8.27 |
-0.77 |
0 |
|
|
379010 |
134228871 |
1 |
FCl2N4H13C15 |
AB2C4D13E15 |
15.24 |
5.8 |
-9.16 |
-1.35 |
0 |
|
|
379011 |
134228875 |
1 |
OCl2N2H24C26 |
AB2C2D24E26 |
57.94 |
1.92 |
-9.24 |
-0.81 |
0 |
|
|
379012 |
134228876 |
1 |
BrFIN2H7C9 |
ABCD2E7F9 |
19.31 |
3.01 |
-9.09 |
-1.34 |
0 |
|
|
379013 |
134228880 |
1 |
N2O2C15H16 |
A2B2C15D16 |
-37.44 |
4.37 |
-8.29 |
-0.63 |
0 |
|
|
379014 |
134228882 |
1 |
BrCl2N2O2H19C20 |
AB2C2D2E19F20 |
-18.96 |
3.96 |
-9.54 |
-0.82 |
0 |
|
|
379015 |
134228885 |
1 |
ON2C13H16 |
AB2C13D16 |
11.98 |
4.89 |
-9.24 |
-0.68 |
0 |
|
|
379016 |
134228887 |
2 |
NOC10H11 |
ABC10D11 |
-21.31 |
3.73 |
-8.66 |
-0.36 |
0 |
|
|
379017 |
134228891 |
1 |
Cl2O2N3H17C19 |
A2B2C3D17E19 |
64.08 |
4.79 |
-9.29 |
-1.41 |
0 |
|
|
379018 |
134228893 |
1 |
BrN2F3H10C11 |
AB2C3D10E11 |
-118.76 |
4.24 |
-9.56 |
-1.07 |
0 |
|
|
379019 |
134228898 |
1 |
ClO2N3C12H12 |
AB2C3D12E12 |
30.56 |
4.93 |
-9.1 |
-1.3 |
0 |
|
|
379020 |
134228902 |
1 |
NOC16H23 |
ABC16D23 |
16.7 |
2.6 |
-8.77 |
0.11 |
0 |
|
|
379021 |
134228903 |
1 |
NC16H23 |
AB16C23 |
0.95 |
2.34 |
-8.93 |
0.05 |
0 |
|
|
379022 |
134228914 |
1 |
SO2N3C14H17 |
AB2C3D14E17 |
34.94 |
6.58 |
-8.79 |
-1.48 |
0 |
|
|
379023 |
134228916 |
1 |
OC15H22 |
AB15C22 |
-32.01 |
3.8 |
-8.64 |
-0.29 |
0 |
|
|
379024 |
134228917 |
1 |
FNC25H30 |
ABC25D30 |
-38.68 |
1.72 |
-8.85 |
-0.65 |
0 |
|
|
379025 |
134228921 |
1 |
NH23C27 |
AB23C27 |
92.92 |
2.01 |
-8.1 |
-0.31 |
0 |
|
|
379026 |
134228923 |
1 |
SN3H65C71 |
AB3C65D71 |
319.36 |
1.17 |
-7.96 |
-0.55 |
0 |
|
|
379027 |
134228926 |
1 |
ON3H49C63 |
AB3C49D63 |
339.39 |
7.28 |
-8.23 |
-0.64 |
0 |
|
|
379028 |
134228940 |
1 |
O2N3H21C23 |
A2B3C21D23 |
140.01 |
6.04 |
-9.23 |
-1.37 |
0 |
|
|
379029 |
134228941 |
1 |
ClO2N5H14C19 |
AB2C5D14E19 |
97.17 |
1.37 |
-9.55 |
-1.71 |
0 |
|
|
379030 |
134228942 |
1 |
SO2N4H16C20 |
AB2C4D16E20 |
92.95 |
4.74 |
-8.85 |
-1.59 |
0 |
|
|
379031 |
134337191 |
1 |
F3N4O13C50H63 |
A3B4C13D50E63 |
-628.08 |
4.69 |
-8.76 |
-1.18 |
0 |
|
|
379032 |
134337193 |
1 |
F3N4O11C35H53 |
A3B4C11D35E53 |
-585.82 |
5.93 |
-9.46 |
-1.25 |
0 |
|
|
379033 |
134337221 |
1 |
NOC10H21 |
ABC10D21 |
-69.5 |
1.44 |
-8.9 |
2.26 |
0 |
|
|
379034 |
134352105 |
1 |
ClON2H23C24 |
ABC2D23E24 |
47.56 |
1.55 |
-8.71 |
-0.43 |
0 |
|
|
379035 |
134352106 |
1 |
NC25H25 |
AB25C25 |
80.98 |
1.77 |
-8.12 |
-0.34 |
0 |
|
|
379036 |
134352117 |
2 |
FN2S7C51H54 |
AB2C7D51E54 |
185.87 |
5.62 |
-8.08 |
-1.93 |
0 |
|
|
379037 |
134352124 |
1 |
SN2O2C27H28 |
AB2C2D27E28 |
-15.46 |
1.8 |
-8.4 |
-0.13 |
0 |
|
|
379038 |
134352126 |
1 |
FO2N3H26C27 |
AB2C3D26E27 |
-66.44 |
3.78 |
-8.25 |
-0.65 |
0 |
|
|
379039 |
134352127 |
1 |
O2N3C29H33 |
A2B3C29D33 |
-53.23 |
3.5 |
-8.2 |
0.04 |
0 |
|
|
379040 |
134352133 |
1 |
O3I4H12C21 |
A3B4C12D21 |
18.21 |
5.9 |
-9.4 |
-1.5 |
0 |
|
|
379041 |
134352137 |
1 |
O2N4C31H46 |
A2B4C31D46 |
-98.76 |
2.59 |
-8.14 |
0.31 |
0 |
|
|
379042 |
134352146 |
1 |
ClO2C8H11 |
AB2C8D11 |
-79.43 |
4.49 |
-8.82 |
0.37 |
1 |
|
|
379043 |
134352155 |
1 |
ClSO3N5C37H49 |
ABC3D5E37F49 |
-55.67 |
5.4 |
0.0 |
0.0 |
1 |
|
|
379044 |
134352156 |
1 |
ClN3O4C50H57 |
AB3C4D50E57 |
-108.72 |
4.62 |
0.0 |
0.0 |
1 |
|
|
379045 |
134352159 |
1 |
ClO4N5C40H51 |
AB4C5D40E51 |
-101.06 |
9.24 |
0.0 |
0.0 |
1 |
|
|
379046 |
134352161 |
1 |
ClSN5O5C38H49 |
ABC5D5E38F49 |
-138.07 |
8.25 |
0.0 |
0.0 |
2 |
|
|
379047 |
134352166 |
1 |
ClN5C31H38 |
AB5C31D38 |
122.13 |
3.69 |
-7.57 |
-0.26 |
2 |
|
|
379048 |
134352167 |
1 |
ClO4N5C41H54 |
AB4C5D41E54 |
9.79 |
11.78 |
-7.29 |
-0.59 |
2 |
|
|
379049 |
134352168 |
1 |
SN5O8C47H59 |
AB5C8D47E59 |
-120.58 |
11.66 |
-7.36 |
-0.9 |
2 |
|
|
379050 |
134352170 |
1 |
SN5O8C48H61 |
AB5C8D48E61 |
-218.17 |
11.67 |
-7.06 |
-0.21 |
2 |
|
|
379051 |
134352171 |
1 |
O5N6C49H64 |
A5B6C49D64 |
-73.35 |
11.03 |
-5.93 |
-0.51 |
1 |
|
|
379052 |
134352172 |
1 |
ClO2N5C43H53 |
AB2C5D43E53 |
-5.06 |
7.51 |
0.0 |
0.0 |
2 |
|
|
379053 |
134352178 |
1 |
ClSO3N5C41H54 |
ABC3D5E41F54 |
26.07 |
10.28 |
-5.75 |
-0.07 |
0 |
|
|
379054 |
134352180 |
1 |
ClN2C15H17 |
AB2C15D17 |
52.96 |
1.54 |
-8.08 |
-0.43 |
2 |
|
|
379055 |
134352184 |
1 |
ClO2N4C48H57 |
AB2C4D48E57 |
23.27 |
6.43 |
-6.84 |
-0.85 |
0 |
|
|
379056 |
134352185 |
1 |
SN2O3C14H20 |
AB2C3D14E20 |
-56.83 |
24.13 |
-8.56 |
-2.58 |
1 |
|
|
379057 |
134352187 |
1 |
NO2C21H26 |
AB2C21D26 |
-69.1 |
4.98 |
0.0 |
0.0 |
1 |
|
|
379058 |
134352189 |
1 |
SN2O3C18H23 |
AB2C3D18E23 |
-89.78 |
6.04 |
0.0 |
0.0 |
1 |
|
|
379059 |
134352191 |
1 |
N2C15H17 |
A2B15C17 |
48.2 |
3.13 |
0.0 |
0.0 |
0 |
|
|
379060 |
134352196 |
1 |
ClO2N3C26H30 |
AB2C3D26E30 |
-12.52 |
3.42 |
-8.16 |
-0.78 |
0 |
|
|
379061 |
134352197 |
1 |
NF3H10C11 |
AB3C10D11 |
-130.66 |
3.63 |
-8.59 |
-0.41 |
0 |
|
|
379062 |
134352200 |
1 |
ClSN5O5C43H52 |
ABC5D5E43F52 |
-130.22 |
9.01 |
-8.16 |
-1.13 |
0 |
|
|
379063 |
134352203 |
1 |
NC17H17 |
AB17C17 |
51.18 |
1.75 |
-8.11 |
0.05 |
0 |
|
|
379064 |
134352207 |
2 |
FNO3C15H16 |
ABC3D15E16 |
-304.57 |
9.44 |
-9.46 |
-1.35 |
0 |
|
|
379065 |
134352208 |
1 |
F2O3N4C30H32 |
A2B3C4D30E32 |
-166.08 |
3.7 |
-9.01 |
-0.82 |
0 |
|
|
379066 |
134352210 |
1 |
BrF2N3O4H32C35 |
AB2C3D4E32F35 |
-166.57 |
4.13 |
-9.06 |
-1.27 |
0 |
|
|
379067 |
134352219 |
1 |
N3O3C29H33 |
A3B3C29D33 |
-81.43 |
3.48 |
-8.19 |
0.19 |
0 |
|
|
379068 |
134352228 |
1 |
F2N7O11C41H51 |
A2B7C11D41E51 |
-496.45 |
5.35 |
-8.61 |
-0.66 |
0 |
|
|
379069 |
134352239 |
1 |
F7N7P13C40O53H95 |
A7B7C13D40E53F95 |
-3267.59 |
6.28 |
-10.3 |
-0.35 |
0 |
|
|
379070 |
134352240 |
1 |
F2N2P2C8O9H20 |
A2B2C2D8E9F20 |
-547.61 |
5.17 |
-10.04 |
0.18 |
0 |
|
|
379072 |
134352250 |
1 |
NO2F3H8C16 |
AB2C3D8E16 |
-137.16 |
5.04 |
-8.57 |
-1.41 |
0 |
|
|
379073 |
134352254 |
2 |
FNO2H4C8 |
ABC2D4E8 |
-92.05 |
4.27 |
-8.94 |
-2.19 |
0 |
|
|
379074 |
134352262 |
1 |
F2N2O3H12C18 |
A2B2C3D12E18 |
-141.93 |
10.45 |
-8.24 |
-1.14 |
0 |
|
|
379075 |
134352264 |
1 |
FN2O2H13C17 |
AB2C2D13E17 |
-62.01 |
8.64 |
-7.94 |
-0.84 |
0 |
|
|
379076 |
134352273 |
1 |
F2N7O9C41H53 |
A2B7C9D41E53 |
-470.14 |
7.01 |
-8.85 |
-0.6 |
0 |
|
|
379077 |
134352274 |
1 |
FO3C11H19 |
AB3C11D19 |
-213.57 |
1.65 |
-10.39 |
1.23 |
0 |
|
|
379089 |
134352333 |
1 |
NH41C60 |
AB41C60 |
256.9 |
1.02 |
-7.89 |
-0.73 |
0 |
|
|
379090 |
134352334 |
1 |
NH37C50 |
AB37C50 |
187.56 |
1.37 |
-7.84 |
-0.7 |
0 |