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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
441253 |
135233826 |
2 |
ON2C12H19 |
AB2C12D19 |
-90.2 |
4.83 |
-8.02 |
-0.24 |
0 |
|
|
441254 |
135233828 |
2 |
N2H19C26 |
A2B19C26 |
240.47 |
4.28 |
-8.07 |
-0.37 |
0 |
|
|
441255 |
135233837 |
1 |
ON3H39C51 |
AB3C39D51 |
190.54 |
3.7 |
-8.57 |
-0.7 |
0 |
|
|
441256 |
135233841 |
1 |
ON3H29C45 |
AB3C29D45 |
199.75 |
2.3 |
-8.84 |
-1.26 |
0 |
|
|
441257 |
135233846 |
1 |
ON3H31C51 |
AB3C31D51 |
219.79 |
1.67 |
-8.62 |
-1.17 |
0 |
|
|
441258 |
135233847 |
1 |
ON3H35C57 |
AB3C35D57 |
247.02 |
1.43 |
-8.64 |
-1.25 |
0 |
|
|
441259 |
135233849 |
1 |
O2N3H29C49 |
A2B3C29D49 |
192.22 |
1.62 |
-8.77 |
-1.2 |
0 |
|
|
441260 |
135233850 |
1 |
ON3H31C49 |
AB3C31D49 |
215.74 |
1.59 |
-8.73 |
-1.1 |
0 |
|
|
441261 |
135233851 |
1 |
ON3H37C49 |
AB3C37D49 |
178.31 |
4.54 |
-8.78 |
-0.68 |
0 |
|
|
441262 |
135233852 |
1 |
ON3H31C43 |
AB3C31D43 |
183.45 |
1.29 |
-8.74 |
-1.09 |
0 |
|
|
441263 |
135233853 |
1 |
O3N5C27H37 |
A3B5C27D37 |
-56.55 |
1.48 |
-8.46 |
-0.52 |
0 |
|
|
441264 |
135233855 |
1 |
NSH31C45 |
ABC31D45 |
167.84 |
3.2 |
-8.07 |
-0.69 |
0 |
|
|
441265 |
135233858 |
1 |
O2N3H35C50 |
A2B3C35D50 |
174.19 |
3.63 |
-8.74 |
-1.26 |
0 |
|
|
441266 |
135233861 |
1 |
BrClSH8C12 |
ABCD8E12 |
35.91 |
2.61 |
-8.69 |
-0.91 |
0 |
|
|
441267 |
135233865 |
1 |
ON4H30C46 |
AB4C30D46 |
252.75 |
5.36 |
-9.22 |
-1.4 |
0 |
|
|
441268 |
135233867 |
1 |
ON3H31C45 |
AB3C31D45 |
197.6 |
1.55 |
-8.84 |
-1.2 |
0 |
|
|
441269 |
135233870 |
1 |
NH31C49 |
AB31C49 |
213.51 |
1.9 |
-8.1 |
-0.52 |
0 |
|
|
441270 |
135233874 |
1 |
ON4H32C50 |
AB4C32D50 |
233.33 |
3.17 |
-8.44 |
-1.25 |
0 |
|
|
441271 |
135233877 |
1 |
ON2H28C44 |
AB2C28D44 |
170.51 |
2.22 |
-8.39 |
-1.13 |
0 |
|
|
441272 |
135233878 |
1 |
ON4H30C46 |
AB4C30D46 |
228.71 |
3.63 |
-8.83 |
-1.45 |
0 |
|
|
441273 |
135233887 |
1 |
SN3H31C51 |
AB3C31D51 |
248.65 |
1.46 |
-8.46 |
-1.06 |
0 |
|
|
441274 |
135233893 |
1 |
O2N3H31C51 |
A2B3C31D51 |
199.03 |
2.25 |
-8.93 |
-1.13 |
0 |
|
|
441275 |
135233928 |
1 |
SO2N6C22H36 |
AB2C6D22E36 |
-35.96 |
8.75 |
-8.65 |
-0.65 |
0 |
|
|
441276 |
135233938 |
1 |
NC23H23 |
AB23C23 |
104.11 |
1.59 |
-7.91 |
0.11 |
0 |
|
|
441277 |
135233942 |
2 |
OC8H9 |
AB8C9 |
-57.0 |
3.85 |
-9.54 |
-0.7 |
0 |
|
|
441278 |
135233943 |
1 |
NH21C31 |
AB21C31 |
137.98 |
0.92 |
-8.04 |
-0.47 |
0 |
|
|
441279 |
135233956 |
1 |
ON3H29C45 |
AB3C29D45 |
196.46 |
1.73 |
-9.07 |
-1.12 |
0 |
|
|
441280 |
135233960 |
2 |
NOH17C26 |
ABC17D26 |
226.7 |
3.05 |
-7.84 |
-0.9 |
0 |
|
|
441281 |
135233966 |
1 |
ON3H29C47 |
AB3C29D47 |
208.05 |
1.85 |
-8.61 |
-1.26 |
0 |
|
|
441282 |
135233967 |
1 |
ON3H27C41 |
AB3C27D41 |
262.76 |
5.35 |
-8.97 |
-2.29 |
0 |
|
|
441283 |
135233968 |
1 |
O2N3H27C47 |
A2B3C27D47 |
186.24 |
1.66 |
-8.7 |
-1.36 |
0 |
|
|
441284 |
135233972 |
1 |
SN3H31C49 |
AB3C31D49 |
248.64 |
2.11 |
-8.46 |
-1.21 |
0 |
|
|
441285 |
135233975 |
2 |
O2N3C35H72 |
A2B3C35D72 |
-468.07 |
8.77 |
-8.6 |
0.97 |
0 |
|
|
441286 |
135233976 |
1 |
NC13H27 |
AB13C27 |
-57.59 |
1.56 |
-8.71 |
3.1 |
0 |
|
|
441287 |
135233978 |
1 |
SN4C14H18 |
AB4C14D18 |
80.48 |
6.42 |
-7.43 |
-0.56 |
0 |
|
|
441288 |
135233980 |
1 |
OC18H20 |
AB18C20 |
-4.65 |
1.75 |
-8.47 |
0.26 |
0 |
|
|
441289 |
135233982 |
1 |
O5N7C84H171 |
A5B7C84D171 |
-553.77 |
1.83 |
-8.85 |
0.67 |
0 |
|
|
441290 |
135233986 |
1 |
O5C19H36 |
A5B19C36 |
-301.73 |
3.9 |
-9.94 |
0.75 |
0 |
|
|
441291 |
135233988 |
1 |
NO8C20H35 |
AB8C20D35 |
-403.96 |
2.95 |
-9.54 |
0.42 |
0 |
|
|
441292 |
135233989 |
1 |
INO4C17H32 |
ABC4D17E32 |
-222.48 |
0.54 |
-9.12 |
-0.85 |
0 |
|
|
441293 |
135233990 |
1 |
OS2N6C19H24 |
AB2C6D19E24 |
51.89 |
3.41 |
-8.83 |
-0.71 |
0 |
|
|
441294 |
135233994 |
1 |
N5H37C51 |
A5B37C51 |
262.61 |
2.08 |
-7.8 |
-1.2 |
0 |
|
|
441295 |
135233997 |
1 |
N3O3C11H19 |
A3B3C11D19 |
-163.35 |
0.5 |
-10.54 |
-0.56 |
0 |
|
|
441296 |
135233998 |
1 |
SN4O6C12H22 |
AB4C6D12E22 |
-235.63 |
9.2 |
-9.35 |
-0.9 |
0 |
|
|
441297 |
135233999 |
1 |
ON4C14H32 |
AB4C14D32 |
-73.29 |
0.95 |
-8.78 |
1.15 |
0 |
|
|
441298 |
135234000 |
1 |
O2S2N8C23H24 |
A2B2C8D23E24 |
61.59 |
6.78 |
-8.99 |
-0.95 |
0 |
|
|
441299 |
135234001 |
1 |
SN2C18H32 |
AB2C18D32 |
-12.6 |
2.99 |
-8.34 |
0.23 |
0 |
|
|
441300 |
135234006 |
1 |
ON3H31C47 |
AB3C31D47 |
201.38 |
2.69 |
-8.58 |
-1.17 |
0 |
|
|
441301 |
135234007 |
1 |
ON3H35C51 |
AB3C35D51 |
222.36 |
2.47 |
-8.71 |
-1.16 |
0 |
|
|
441302 |
135234011 |
1 |
ON2H34C52 |
AB2C34D52 |
320.86 |
3.16 |
-8.91 |
-0.99 |
0 |
|
|
441303 |
135234021 |
1 |
ON4H28C46 |
AB4C28D46 |
232.19 |
2.58 |
-8.96 |
-1.52 |
0 |
|
|
441304 |
135234037 |
1 |
NOH27C42 |
ABC27D42 |
149.51 |
3.36 |
-8.25 |
-0.6 |
0 |
|
|
441305 |
135234066 |
1 |
OF2S2N8C28H30 |
AB2C2D8E28F30 |
6.18 |
5.29 |
-8.93 |
-1.0 |
0 |
|
|
441306 |
135234067 |
1 |
ClON4C14H19 |
ABC4D14E19 |
3.12 |
5.49 |
-8.68 |
-1.25 |
0 |
|
|
441307 |
135234070 |
2 |
OSN3C11H16 |
ABC3D11E16 |
-24.76 |
7.48 |
-9.26 |
-0.92 |
0 |
|
|
441308 |
135234080 |
2 |
SO3N4C15H18 |
AB3C4D15E18 |
-70.32 |
11.82 |
-9.43 |
-0.85 |
0 |
|
|
441309 |
135234081 |
1 |
SO2N4C19H28 |
AB2C4D19E28 |
-42.63 |
1.91 |
-9.04 |
-0.34 |
0 |
|
|
441310 |
135234084 |
1 |
O2S2N7C33H39 |
A2B2C7D33E39 |
67.52 |
12.75 |
-8.33 |
-0.68 |
0 |
|
|
441311 |
135234086 |
1 |
SO2N3C18H25 |
AB2C3D18E25 |
-54.35 |
1.22 |
-8.66 |
-0.06 |
0 |
|
|
441312 |
135234088 |
1 |
O2S2N10C23H26 |
A2B2C10D23E26 |
107.39 |
3.9 |
-8.74 |
-1.05 |
0 |
|
|
441313 |
135234090 |
1 |
OS2N10C19H26 |
AB2C10D19E26 |
82.33 |
5.42 |
-9.21 |
-0.96 |
0 |
|
|
441314 |
135234100 |
1 |
O2S2N7C17H21 |
A2B2C7D17E21 |
31.7 |
8.36 |
-8.39 |
-0.79 |
0 |
|
|
441315 |
135234103 |
1 |
SO2N4C9H12 |
AB2C4D9E12 |
-16.89 |
8.35 |
-8.34 |
-0.75 |
0 |
|
|
441316 |
135234104 |
1 |
SN5C18H25 |
AB5C18D25 |
69.41 |
6.15 |
-8.62 |
-0.63 |
0 |
|
|
441317 |
135234105 |
1 |
O2S2N9C33H43 |
A2B2C9D33E43 |
87.0 |
4.8 |
-8.11 |
-0.95 |
0 |
|
|
441318 |
135234106 |
1 |
NO2C13H19 |
AB2C13D19 |
-72.18 |
4.14 |
-9.12 |
-0.19 |
0 |
|
|
441319 |
135234107 |
1 |
OSN4C18H24 |
ABC4D18E24 |
2.04 |
4.78 |
-8.56 |
-0.46 |
0 |
|
|
441320 |
135234108 |
1 |
OF2S2N7C31H35 |
AB2C2D7E31F35 |
-23.45 |
3.98 |
-8.91 |
-1.02 |
0 |
|
|
441321 |
135234116 |
1 |
SN2C16H24 |
AB2C16D24 |
17.73 |
0.86 |
-8.55 |
0.26 |
0 |
|
|
441322 |
135234120 |
2 |
SO2N4C13H14 |
AB2C4D13E14 |
-19.99 |
4.13 |
-9.11 |
-1.11 |
0 |
|
|
441323 |
135234121 |
1 |
OSN5C24H39 |
ABC5D24E39 |
-19.88 |
4.91 |
-8.3 |
0.15 |
0 |
|
|
441324 |
135234122 |
2 |
OSF2N5C15H15 |
ABC2D5E15F15 |
-116.26 |
12.92 |
-9.44 |
-0.84 |
0 |
|
|
441325 |
135234123 |
1 |
O2S2N10C23H30 |
A2B2C10D23E30 |
54.97 |
8.56 |
-8.66 |
-0.53 |
0 |
|
|
441326 |
135234126 |
1 |
SN2O2C6H12 |
AB2C2D6E12 |
-57.21 |
1.96 |
-9.25 |
-0.89 |
0 |
|
|
441327 |
135234129 |
1 |
S2O3N7C24H25 |
A2B3C7D24E25 |
25.14 |
4.42 |
-8.06 |
-0.92 |
0 |
|
|
441328 |
135234132 |
2 |
OSN3C14H16 |
ABC3D14E16 |
-1.18 |
4.78 |
-8.13 |
-0.42 |
0 |
|
|
441329 |
135234136 |
1 |
O2S2N7C29H29 |
A2B2C7D29E29 |
64.6 |
11.71 |
-9.21 |
-1.33 |
0 |
|
|
441330 |
135234137 |
1 |
O2N3C6H13 |
A2B3C6D13 |
-79.46 |
1.32 |
-9.04 |
0.3 |
0 |
|
|
441331 |
135234142 |
1 |
O2S2F4N10C31H32 |
A2B2C4D10E31F32 |
-72.77 |
5.97 |
-9.03 |
-1.18 |
0 |
|
|
441332 |
135234144 |
1 |
SN3C10H19 |
AB3C10D19 |
32.49 |
1.9 |
-8.75 |
0.15 |
0 |
|
|
441333 |
135234153 |
2 |
SO2N5C15H18 |
AB2C5D15E18 |
-12.7 |
3.11 |
-8.76 |
-0.86 |
0 |
|
|
441334 |
135234194 |
1 |
O2S2N11C26H33 |
A2B2C11D26E33 |
70.46 |
13.15 |
-8.45 |
-0.69 |
0 |
|
|
441335 |
135234195 |
1 |
O2S2N7C19H31 |
A2B2C7D19E31 |
-7.71 |
3.7 |
-8.62 |
-0.73 |
0 |
|
|
441336 |
135234196 |
1 |
NO2C7H15 |
AB2C7D15 |
-91.23 |
1.75 |
-8.58 |
1.21 |
0 |
|
|
441337 |
135234198 |
1 |
OSN4C16H22 |
ABC4D16E22 |
-3.96 |
5.98 |
-8.62 |
-0.62 |
0 |
|
|
441338 |
135234199 |
1 |
OSN4C21H28 |
ABC4D21E28 |
-3.81 |
4.84 |
-9.07 |
-0.51 |
0 |
|
|
441339 |
135234212 |
1 |
OF2S2N8C20H24 |
AB2C2D8E20F24 |
-25.6 |
4.64 |
-9.01 |
-0.89 |
0 |
|
|
441340 |
135234214 |
1 |
F2S2O3N9C28H29 |
A2B2C3D9E28F29 |
-59.36 |
5.02 |
-9.34 |
-1.02 |
0 |
|
|
441341 |
135234216 |
1 |
NOC11H15 |
ABC11D15 |
-11.84 |
1.65 |
-9.24 |
0.28 |
0 |
|
|
441342 |
135234221 |
1 |
S2O4N6C35H48 |
A2B4C6D35E48 |
-95.13 |
9.05 |
-8.14 |
-0.32 |
0 |
|
|
441343 |
135234226 |
1 |
O2N3C11H15 |
A2B3C11D15 |
-43.89 |
5.49 |
-8.86 |
-0.15 |
0 |
|
|
441344 |
135234236 |
1 |
FOS2N8C26H31 |
ABC2D8E26F31 |
52.11 |
2.91 |
-8.97 |
-1.13 |
0 |
|
|
441345 |
135234242 |
1 |
OSN6C18H18 |
ABC6D18E18 |
59.28 |
0.71 |
-8.4 |
-0.77 |
0 |
|
|
441346 |
135234243 |
1 |
OF2N6H16C19 |
AB2C6D16E19 |
-38.1 |
3.58 |
-8.62 |
-0.98 |
0 |
|
|
441347 |
135234245 |
1 |
OF2N6H18C20 |
AB2C6D18E20 |
-47.33 |
4.42 |
-8.53 |
-0.86 |
0 |
|
|
441348 |
135234246 |
1 |
ON6C20H20 |
AB6C20D20 |
51.41 |
3.28 |
-8.52 |
-0.69 |
0 |
|
|
441349 |
135234248 |
1 |
OSF2N7C17H17 |
ABC2D7E17F17 |
-22.23 |
4.5 |
-8.86 |
-0.97 |
0 |
|
|
441350 |
135234249 |
1 |
FON6C19H19 |
ABC6D19E19 |
16.11 |
10.74 |
-8.77 |
-0.66 |
0 |
|
|
441351 |
135234298 |
1 |
SN4O10C17H30 |
AB4C10D17E30 |
-420.02 |
6.8 |
-9.35 |
-0.59 |
0 |
|
|
441352 |
135234299 |
1 |
N8O15C36H48 |
A8B15C36D48 |
-585.69 |
10.1 |
-7.95 |
-1.6 |
0 |