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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
428066 |
135165924 |
2 |
N2H17C27 |
A2B17C27 |
271.7 |
3.52 |
-7.86 |
-1.08 |
0 |
|
|
428067 |
135165925 |
2 |
N2H17C27 |
A2B17C27 |
271.74 |
3.78 |
-7.86 |
-1.12 |
0 |
|
|
428068 |
135165926 |
2 |
N2H19C30 |
A2B19C30 |
295.23 |
3.36 |
-7.9 |
-1.05 |
0 |
|
|
428069 |
135165927 |
1 |
ON5H33C55 |
AB5C33D55 |
266.64 |
2.54 |
-8.03 |
-1.19 |
0 |
|
|
428070 |
135165928 |
2 |
N2H15C24 |
A2B15C24 |
249.34 |
3.68 |
-7.88 |
-1.07 |
0 |
|
|
428071 |
135165929 |
1 |
ON5H37C61 |
AB5C37D61 |
297.25 |
1.95 |
-8.11 |
-1.18 |
0 |
|
|
428072 |
135165930 |
1 |
ON5H29C49 |
AB5C29D49 |
243.62 |
2.77 |
-8.04 |
-1.32 |
0 |
|
|
428073 |
135165940 |
1 |
ON5H37C61 |
AB5C37D61 |
289.48 |
3.39 |
-8.02 |
-1.32 |
0 |
|
|
428074 |
135165997 |
1 |
ON4H38C64 |
AB4C38D64 |
294.78 |
3.98 |
-7.89 |
-1.3 |
0 |
|
|
428075 |
135165998 |
1 |
N5H33C53 |
A5B33C53 |
287.69 |
2.86 |
-8.01 |
-1.07 |
0 |
|
|
428076 |
135165999 |
1 |
N5H29C47 |
A5B29C47 |
263.95 |
3.09 |
-7.97 |
-1.06 |
0 |
|
|
428077 |
135166000 |
1 |
N5H33C53 |
A5B33C53 |
286.91 |
2.75 |
-8.01 |
-1.08 |
0 |
|
|
428078 |
135166001 |
1 |
N5H37C59 |
A5B37C59 |
310.42 |
3.09 |
-7.98 |
-1.06 |
0 |
|
|
428079 |
135166002 |
2 |
N2H14C23 |
A2B14C23 |
245.02 |
3.17 |
-7.84 |
-1.06 |
0 |
|
|
428080 |
135166003 |
1 |
N5H37C59 |
A5B37C59 |
316.02 |
1.94 |
-8.04 |
-1.21 |
0 |
|
|
428081 |
135166004 |
1 |
N5H33C53 |
A5B33C53 |
286.22 |
3.33 |
-7.82 |
-1.25 |
0 |
|
|
428082 |
135166005 |
4 |
NH8C13 |
AB8C13 |
268.78 |
3.07 |
-7.86 |
-1.09 |
0 |
|
|
428083 |
135166006 |
1 |
N5H37C59 |
A5B37C59 |
312.34 |
2.72 |
-7.89 |
-1.16 |
0 |
|
|
428084 |
135166007 |
4 |
NH8C13 |
AB8C13 |
266.38 |
5.49 |
-7.74 |
-1.21 |
0 |
|
|
428085 |
135166008 |
1 |
N5H37C59 |
A5B37C59 |
310.66 |
4.22 |
-7.83 |
-1.23 |
0 |
|
|
428086 |
135166009 |
2 |
N2H18C29 |
A2B18C29 |
290.18 |
6.33 |
-7.73 |
-1.21 |
0 |
|
|
428087 |
135166017 |
1 |
N5H41C65 |
A5B41C65 |
334.17 |
2.61 |
-8.09 |
-1.09 |
0 |
|
|
428088 |
135166035 |
1 |
ON5H35C59 |
AB5C35D59 |
286.72 |
2.85 |
-8.01 |
-1.26 |
0 |
|
|
428089 |
135166040 |
4 |
NH8C13 |
AB8C13 |
268.0 |
2.76 |
-7.85 |
-1.06 |
0 |
|
|
428090 |
135166044 |
1 |
SN3H27C46 |
AB3C27D46 |
235.55 |
4.67 |
-7.97 |
-1.33 |
0 |
|
|
428091 |
135166045 |
1 |
OSN3H25C46 |
ABC3D25E46 |
217.74 |
5.29 |
-8.14 |
-1.41 |
0 |
|
|
428092 |
135166046 |
1 |
SN4H28C47 |
AB4C28D47 |
262.98 |
2.18 |
-8.31 |
-1.31 |
0 |
|
|
428093 |
135166047 |
1 |
O2N4C19H22 |
A2B4C19D22 |
-6.83 |
7.54 |
-9.19 |
-0.58 |
0 |
|
|
428094 |
135166048 |
1 |
OSN4H26C47 |
ABC4D26E47 |
239.78 |
2.43 |
-8.34 |
-1.45 |
0 |
|
|
428095 |
135166049 |
1 |
OSN4H30C53 |
ABC4D30E53 |
263.3 |
2.18 |
-8.35 |
-1.42 |
0 |
|
|
428096 |
135166050 |
1 |
SN4H28C47 |
AB4C28D47 |
262.83 |
2.66 |
-8.31 |
-1.3 |
0 |
|
|
428097 |
135166051 |
1 |
SN3H27C46 |
AB3C27D46 |
245.85 |
5.49 |
-8.05 |
-1.45 |
0 |
|
|
428098 |
135166052 |
1 |
SN3H23C40 |
AB3C23D40 |
214.65 |
3.87 |
-8.1 |
-1.19 |
0 |
|
|
428099 |
135166053 |
1 |
SN4H24C41 |
AB4C24D41 |
233.36 |
0.97 |
-8.26 |
-1.24 |
0 |
|
|
428100 |
135166054 |
1 |
SN3H27C46 |
AB3C27D46 |
237.44 |
4.08 |
-8.09 |
-1.2 |
0 |
|
|
428101 |
135166055 |
1 |
SN4H28C47 |
AB4C28D47 |
255.97 |
2.18 |
-8.08 |
-1.31 |
0 |
|
|
428102 |
135166056 |
1 |
SN3H27C46 |
AB3C27D46 |
235.67 |
4.57 |
-7.99 |
-1.25 |
0 |
|
|
428103 |
135166057 |
1 |
SN4H28C47 |
AB4C28D47 |
256.17 |
1.38 |
-8.24 |
-1.24 |
0 |
|
|
428104 |
135166058 |
1 |
OSN3H25C46 |
ABC3D25E46 |
213.38 |
4.16 |
-8.12 |
-1.33 |
0 |
|
|
428105 |
135166075 |
1 |
O2N4H30C53 |
A2B4C30D53 |
225.43 |
0.8 |
-8.38 |
-1.36 |
0 |
|
|
428106 |
135166104 |
5 |
NH7C11 |
AB7C11 |
290.12 |
5.23 |
-7.92 |
-1.11 |
0 |
|
|
428107 |
135166110 |
1 |
ON5H33C55 |
AB5C33D55 |
266.35 |
4.22 |
-7.89 |
-1.22 |
0 |
|
|
428108 |
135166111 |
1 |
N5H37C57 |
A5B37C57 |
295.98 |
2.04 |
-8.04 |
-1.12 |
0 |
|
|
428109 |
135166130 |
1 |
N5H35C57 |
A5B35C57 |
295.88 |
1.62 |
-8.03 |
-1.22 |
0 |
|
|
428110 |
135166131 |
2 |
N2H17C28 |
A2B17C28 |
277.17 |
3.21 |
-8.03 |
-1.14 |
0 |
|
|
428111 |
135166132 |
1 |
ON5H33C57 |
AB5C33D57 |
272.48 |
1.97 |
-8.24 |
-1.33 |
0 |
|
|
428112 |
135166133 |
2 |
N2H17C28 |
A2B17C28 |
274.35 |
3.44 |
-7.98 |
-1.15 |
0 |
|
|
428113 |
135166134 |
1 |
ON4H30C50 |
AB4C30D50 |
230.78 |
1.95 |
-8.07 |
-1.25 |
0 |
|
|
428114 |
135166135 |
1 |
N5H33C51 |
A5B33C51 |
271.69 |
1.11 |
-8.06 |
-1.18 |
0 |
|
|
428115 |
135166136 |
1 |
N5H33C51 |
A5B33C51 |
273.85 |
0.95 |
-8.21 |
-1.12 |
0 |
|
|
428116 |
135166137 |
4 |
NH7C11 |
AB7C11 |
232.07 |
2.29 |
-8.06 |
-1.11 |
0 |
|
|
428117 |
135166138 |
2 |
N2H16C25 |
A2B16C25 |
254.98 |
3.23 |
-8.04 |
-1.13 |
0 |
|
|
428118 |
135166139 |
1 |
ON4H34C56 |
AB4C34D56 |
254.23 |
3.7 |
-8.06 |
-1.22 |
0 |
|
|
428119 |
135166140 |
1 |
N5H33C51 |
A5B33C51 |
273.0 |
1.81 |
-7.99 |
-1.25 |
0 |
|
|
428120 |
135166141 |
1 |
ON5H31C51 |
AB5C31D51 |
250.15 |
1.81 |
-8.26 |
-1.33 |
0 |
|
|
428121 |
135166142 |
2 |
N2H16C25 |
A2B16C25 |
255.1 |
3.11 |
-8.04 |
-1.09 |
0 |
|
|
428122 |
135166143 |
2 |
N2H16C25 |
A2B16C25 |
252.04 |
3.18 |
-7.96 |
-1.18 |
0 |
|
|
428123 |
135166144 |
2 |
N2H16C25 |
A2B16C25 |
253.02 |
4.52 |
-7.89 |
-1.22 |
0 |
|
|
428124 |
135166145 |
1 |
N5H37C57 |
A5B37C57 |
295.0 |
1.13 |
-8.06 |
-1.15 |
0 |
|
|
428125 |
135166178 |
2 |
N2H17C28 |
A2B17C28 |
274.09 |
3.3 |
-7.96 |
-1.15 |
0 |
|
|
428126 |
135166179 |
2 |
N2H17C28 |
A2B17C28 |
280.22 |
3.63 |
-7.95 |
-1.14 |
0 |
|
|
428127 |
135166180 |
1 |
ON5H31C51 |
AB5C31D51 |
255.53 |
2.46 |
-8.16 |
-1.31 |
0 |
|
|
428128 |
135166181 |
2 |
N2H17C28 |
A2B17C28 |
274.63 |
2.6 |
-7.89 |
-1.14 |
0 |
|
|
428129 |
135166182 |
1 |
ON5H33C57 |
AB5C33D57 |
275.34 |
2.17 |
-8.12 |
-1.35 |
0 |
|
|
428130 |
135166183 |
1 |
ON4H30C50 |
AB4C30D50 |
239.75 |
3.68 |
-7.94 |
-1.22 |
0 |
|
|
428131 |
135166184 |
1 |
N5H33C51 |
A5B33C51 |
263.07 |
1.88 |
-8.06 |
-1.13 |
0 |
|
|
428132 |
135166185 |
2 |
N2H16C25 |
A2B16C25 |
252.98 |
2.53 |
-7.9 |
-1.16 |
0 |
|
|
428133 |
135166186 |
2 |
N2H16C25 |
A2B16C25 |
257.52 |
3.38 |
-7.99 |
-1.08 |
0 |
|
|
428134 |
135166187 |
2 |
N2H16C25 |
A2B16C25 |
258.44 |
3.99 |
-7.95 |
-1.12 |
0 |
|
|
428135 |
135166188 |
1 |
N5H33C51 |
A5B33C51 |
272.97 |
1.18 |
-7.98 |
-1.19 |
0 |
|
|
428136 |
135166189 |
4 |
NH9C14 |
AB9C14 |
390.96 |
6.21 |
-7.99 |
-1.25 |
0 |
|
|
428137 |
135166190 |
1 |
N5H31C49 |
A5B31C49 |
270.48 |
4.78 |
-8.04 |
-1.08 |
0 |
|
|
428138 |
135166192 |
1 |
N5H37C57 |
A5B37C57 |
300.12 |
2.11 |
-8.1 |
-1.13 |
0 |
|
|
428139 |
135166199 |
2 |
N3H18C28 |
A3B18C28 |
309.66 |
2.13 |
-8.04 |
-1.17 |
0 |
|
|
428140 |
135166201 |
5 |
NH7C11 |
AB7C11 |
294.83 |
2.88 |
-8.01 |
-1.11 |
0 |
|
|
428141 |
135166255 |
1 |
N4O24C37H64 |
A4B24C37D64 |
-1018.0 |
6.63 |
-9.7 |
-0.17 |
0 |
|
|
428142 |
135166256 |
1 |
O2N3C19H21 |
A2B3C19D21 |
-12.4 |
3.71 |
-9.02 |
-0.48 |
0 |
|
|
428143 |
135166257 |
2 |
OC7H14 |
AB7C14 |
-151.06 |
5.18 |
-10.5 |
0.85 |
0 |
|
|
428144 |
135166258 |
1 |
NH25C33 |
AB25C33 |
122.57 |
1.33 |
-8.15 |
-0.33 |
0 |
|
|
428145 |
135166259 |
1 |
N3H47C73 |
A3B47C73 |
332.34 |
0.84 |
-8.0 |
-0.48 |
0 |
|
|
428146 |
135166260 |
1 |
ON2H42C67 |
AB2C42D67 |
271.65 |
1.32 |
-8.01 |
-0.65 |
0 |
|
|
428147 |
135166261 |
1 |
SN2H42C67 |
AB2C42D67 |
296.13 |
1.48 |
-8.03 |
-0.63 |
0 |
|
|
428148 |
135166262 |
1 |
SN2H42C67 |
AB2C42D67 |
296.55 |
2.53 |
-8.08 |
-0.6 |
0 |
|
|
428149 |
135166263 |
1 |
ON2H42C67 |
AB2C42D67 |
268.77 |
2.35 |
-8.05 |
-0.61 |
0 |
|
|
428150 |
135166264 |
1 |
ON2H42C67 |
AB2C42D67 |
266.59 |
2.3 |
-8.07 |
-0.6 |
0 |
|
|
428151 |
135166265 |
1 |
SN2H42C67 |
AB2C42D67 |
297.0 |
2.37 |
-8.08 |
-0.57 |
0 |
|
|
428152 |
135166266 |
1 |
ON2H42C67 |
AB2C42D67 |
267.58 |
2.13 |
-8.06 |
-0.61 |
0 |
|
|
428153 |
135166279 |
1 |
N2H36C55 |
A2B36C55 |
247.37 |
1.35 |
-8.02 |
-0.49 |
0 |
|
|
428154 |
135166285 |
1 |
N2H40C63 |
A2B40C63 |
274.99 |
1.08 |
-8.01 |
-0.56 |
0 |
|
|
428155 |
135166299 |
1 |
ON2H42C67 |
AB2C42D67 |
278.8 |
2.13 |
-7.96 |
-0.77 |
0 |
|
|
428156 |
135166300 |
1 |
SN2H42C67 |
AB2C42D67 |
295.64 |
0.89 |
-8.01 |
-0.58 |
0 |
|
|
428157 |
135166301 |
1 |
SN2H42C67 |
AB2C42D67 |
300.3 |
2.27 |
-8.05 |
-0.63 |
0 |
|
|
428158 |
135166302 |
1 |
ClSO4C34H41 |
ABC4D34E41 |
-52.57 |
3.47 |
-7.09 |
-0.14 |
0 |
|
|
428159 |
135166303 |
1 |
SN2H42C67 |
AB2C42D67 |
297.61 |
2.74 |
-8.09 |
-0.55 |
0 |
|
|
428160 |
135166304 |
1 |
ON2H42C67 |
AB2C42D67 |
268.65 |
3.39 |
-8.08 |
-0.54 |
0 |
|
|
428161 |
135166305 |
1 |
ON2H42C67 |
AB2C42D67 |
266.53 |
1.46 |
-8.08 |
-0.62 |
0 |
|
|
428162 |
135166306 |
1 |
N3H47C73 |
A3B47C73 |
326.27 |
0.31 |
-7.97 |
-0.47 |
0 |
|
|
428163 |
135166307 |
1 |
N3H43C67 |
A3B43C67 |
304.7 |
3.08 |
-7.9 |
-0.56 |
0 |
|
|
428164 |
135166308 |
1 |
ON2H42C67 |
AB2C42D67 |
266.03 |
2.56 |
-8.02 |
-0.58 |
0 |
|
|
428165 |
135166309 |
1 |
N3H47C73 |
A3B47C73 |
334.2 |
2.13 |
-8.04 |
-0.49 |
0 |