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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
445187 |
135264796 |
1 |
OSH26C32 |
ABC26D32 |
84.86 |
1.23 |
-8.33 |
-0.55 |
0 |
|
|
445188 |
135264797 |
1 |
O2N5C19H19 |
A2B5C19D19 |
24.33 |
4.06 |
-8.41 |
-1.21 |
0 |
|
|
445189 |
135264798 |
1 |
S2N3H5C9 |
A2B3C5D9 |
120.97 |
0.69 |
-8.43 |
-1.77 |
0 |
|
|
445190 |
135264799 |
1 |
NSH7C12 |
ABC7D12 |
176.37 |
2.35 |
-8.85 |
-1.19 |
0 |
|
|
445191 |
135264835 |
1 |
SN3O7C25H27 |
AB3C7D25E27 |
-210.12 |
6.8 |
-8.67 |
-0.84 |
0 |
|
|
445192 |
135264855 |
1 |
FSN3O6H24C25 |
ABC3D6E24F25 |
-203.11 |
2.3 |
-8.78 |
-0.94 |
0 |
|
|
445193 |
135264856 |
1 |
OSH16C23 |
ABC16D23 |
69.18 |
3.03 |
-8.41 |
-0.78 |
0 |
|
|
445194 |
135264857 |
1 |
S2N4O4C27H28 |
A2B4C4D27E28 |
-89.8 |
5.1 |
-8.86 |
-0.77 |
0 |
|
|
445195 |
135264875 |
1 |
SN3O5C26H29 |
AB3C5D26E29 |
-148.02 |
6.03 |
-8.22 |
-0.88 |
0 |
|
|
445196 |
135264881 |
1 |
SN2H22C32 |
AB2C22D32 |
156.86 |
2.32 |
-8.06 |
-0.56 |
0 |
|
|
445197 |
135264886 |
1 |
S2N3O6C22H23 |
A2B3C6D22E23 |
-148.45 |
6.59 |
-8.57 |
-1.16 |
0 |
|
|
445198 |
135264888 |
1 |
S2N5H29C49 |
A2B5C29D49 |
284.1 |
7.34 |
-8.23 |
-0.99 |
0 |
|
|
445199 |
135264889 |
1 |
PN4O7C27H33 |
AB4C7D27E33 |
-305.28 |
3.87 |
-8.95 |
-1.03 |
0 |
|
|
445200 |
135264890 |
1 |
ClSF2N3O4H24C25 |
ABC2D3E4F24G25 |
-211.43 |
6.36 |
-9.46 |
-0.66 |
0 |
|
|
445201 |
135264891 |
1 |
S2F4N4O4H20C25 |
A2B4C4D4E20F25 |
-255.08 |
7.37 |
-9.07 |
-1.48 |
0 |
|
|
445202 |
135264894 |
1 |
SN3O4C26H27 |
AB3C4D26E27 |
-106.95 |
5.8 |
-8.91 |
-0.54 |
0 |
|
|
445203 |
135264895 |
2 |
FSN2O2H12C13 |
ABC2D2E12F13 |
-175.38 |
7.25 |
-8.98 |
-0.98 |
0 |
|
|
445204 |
135264897 |
1 |
N2H26C27 |
A2B26C27 |
114.06 |
2.32 |
-8.01 |
-0.54 |
0 |
|
|
445205 |
135264898 |
1 |
OSN4C33H48 |
ABC4D33E48 |
-34.49 |
4.01 |
-7.36 |
-0.06 |
0 |
|
|
445206 |
135264913 |
1 |
SCl2N3O6H23C25 |
AB2C3D6E23F25 |
-168.64 |
6.83 |
-9.08 |
-1.16 |
0 |
|
|
445207 |
135264921 |
1 |
SN3O6C33H35 |
AB3C6D33E35 |
-138.33 |
5.97 |
-8.69 |
-0.59 |
0 |
|
|
445208 |
135264937 |
1 |
S2N7H35C59 |
A2B7C35D59 |
354.35 |
3.33 |
-8.36 |
-1.14 |
0 |
|
|
445209 |
135264940 |
1 |
ON2H24C32 |
AB2C24D32 |
133.37 |
0.41 |
-8.42 |
-0.81 |
0 |
|
|
445210 |
135264978 |
1 |
SN3O10C26H51 |
AB3C10D26E51 |
-495.87 |
1.28 |
-8.76 |
0.53 |
0 |
|
|
445211 |
135265026 |
1 |
ClNO4H20C25 |
ABC4D20E25 |
-28.83 |
5.27 |
-8.83 |
-0.86 |
0 |
|
|
445212 |
135265036 |
1 |
N3O3C36H43 |
A3B3C36D43 |
-38.71 |
4.3 |
-8.57 |
-0.45 |
0 |
|
|
445213 |
135265042 |
1 |
N3O4C26H31 |
A3B4C26D31 |
-58.29 |
10.57 |
-8.29 |
-1.15 |
0 |
|
|
445214 |
135265043 |
1 |
N3O5C41H45 |
A3B5C41D45 |
-65.61 |
7.47 |
-8.61 |
-0.51 |
0 |
|
|
445215 |
135265055 |
2 |
N2O3C21H23 |
A2B3C21D23 |
-134.56 |
6.85 |
-8.66 |
-0.76 |
0 |
|
|
445216 |
135265056 |
1 |
NO3C26H31 |
AB3C26D31 |
-40.56 |
2.3 |
-8.32 |
0.1 |
0 |
|
|
445217 |
135265057 |
2 |
N2O3C22H24 |
A2B3C22D24 |
-113.03 |
4.93 |
-8.78 |
-0.52 |
0 |
|
|
445218 |
135265099 |
1 |
FON9C26H32 |
ABC9D26E32 |
32.94 |
5.41 |
-8.4 |
-0.44 |
0 |
|
|
445219 |
135265111 |
1 |
NO4C14H17 |
AB4C14D17 |
-162.63 |
6.09 |
-10.1 |
-1.2 |
0 |
|
|
445220 |
135265120 |
1 |
NF3C17H26 |
AB3C17D26 |
-184.28 |
5.91 |
-10.2 |
-0.76 |
0 |
|
|
445221 |
135265130 |
1 |
NO2C13H19 |
AB2C13D19 |
-19.3 |
5.16 |
-10.03 |
-1.19 |
0 |
|
|
445222 |
135265134 |
1 |
F3C13H17 |
A3B13C17 |
-151.86 |
1.28 |
-9.89 |
-0.54 |
0 |
|
|
445223 |
135265139 |
1 |
ClNC16H26 |
ABC16D26 |
-32.83 |
4.49 |
-9.85 |
-0.38 |
0 |
|
|
445224 |
135265161 |
1 |
NSCl2C11H13 |
ABC2D11E13 |
1.76 |
4.41 |
-8.55 |
-0.91 |
0 |
|
|
445225 |
135265184 |
1 |
ON2C12H24 |
AB2C12D24 |
-31.57 |
2.24 |
-8.61 |
0.88 |
0 |
|
|
445226 |
135265188 |
2 |
O3C7H8 |
A3B7C8 |
-225.44 |
11.52 |
-11.01 |
-0.47 |
0 |
|
|
445227 |
135265189 |
1 |
FOCl2H13C16 |
ABC2D13E16 |
-62.71 |
4.95 |
-9.38 |
-0.81 |
0 |
|
|
445228 |
135265191 |
1 |
O2N3C16H25 |
A2B3C16D25 |
-100.37 |
2.49 |
-9.48 |
-0.28 |
0 |
|
|
445229 |
135265234 |
1 |
NPC4H12 |
ABC4D12 |
-19.21 |
2.24 |
-8.99 |
2.98 |
0 |
|
|
445230 |
135265254 |
1 |
OSN2C15H20 |
ABC2D15E20 |
1.66 |
3.94 |
-8.74 |
-0.05 |
0 |
|
|
445231 |
135265266 |
1 |
O2N3C20H31 |
A2B3C20D31 |
-78.02 |
5.19 |
-9.73 |
0.45 |
0 |
|
|
445232 |
135265283 |
1 |
ON4C5H8 |
AB4C5D8 |
34.05 |
1.33 |
-8.86 |
-0.38 |
0 |
|
|
445233 |
135265307 |
1 |
PC13H25 |
AB13C25 |
-61.58 |
1.48 |
-8.25 |
3.29 |
0 |
|
|
445234 |
135265308 |
1 |
O5H22C25 |
A5B22C25 |
-120.81 |
2.2 |
-8.73 |
-0.28 |
0 |
|
|
445235 |
135265327 |
1 |
PC15H27 |
AB15C27 |
-48.42 |
1.46 |
-8.45 |
1.46 |
0 |
|
|
445236 |
135265357 |
1 |
N3H11F12C31 |
A3B11C12D31 |
-309.7 |
6.05 |
-10.11 |
-2.07 |
0 |
|
|
445237 |
135265358 |
1 |
N2C11H14 |
A2B11C14 |
79.82 |
5.54 |
-9.13 |
-0.19 |
0 |
|
|
445238 |
135265363 |
1 |
S2O9C44H48 |
A2B9C44D48 |
-303.99 |
6.49 |
-8.42 |
-1.12 |
0 |
|
|
445239 |
135265364 |
1 |
ON2C19H30 |
AB2C19D30 |
6.18 |
3.0 |
-8.78 |
0.44 |
0 |
|
|
445240 |
135265369 |
1 |
NSO5C24H25 |
ABC5D24E25 |
-138.34 |
1.91 |
-8.79 |
-1.2 |
0 |
|
|
445241 |
135265372 |
1 |
N2O7C28H34 |
A2B7C28D34 |
-261.52 |
6.08 |
-8.54 |
-1.0 |
0 |
|
|
445242 |
135265381 |
1 |
NO2C19H21 |
AB2C19D21 |
-33.4 |
4.38 |
-8.37 |
0.17 |
0 |
|
|
445243 |
135265384 |
1 |
NO5C19H21 |
AB5C19D21 |
-135.54 |
6.75 |
-8.57 |
-1.03 |
0 |
|
|
445244 |
135265399 |
2 |
NO2C12H14 |
AB2C12D14 |
-99.41 |
5.27 |
-8.22 |
-0.22 |
0 |
|
|
445245 |
135265430 |
1 |
NO5H23C26 |
AB5C23D26 |
-112.64 |
7.2 |
-8.69 |
-0.82 |
0 |
|
|
445246 |
135265433 |
1 |
N2O6C23H24 |
A2B6C23D24 |
-195.23 |
4.69 |
-8.75 |
-1.16 |
0 |
|
|
445247 |
135265475 |
1 |
SN2O5C23H26 |
AB2C5D23E26 |
-132.58 |
4.16 |
-8.54 |
-1.1 |
0 |
|
|
445248 |
135265477 |
1 |
ClNO5C22H22 |
ABC5D22E22 |
-155.19 |
7.07 |
-8.49 |
-1.02 |
0 |
|
|
445249 |
135265490 |
1 |
ON7C21H33 |
AB7C21D33 |
-12.51 |
4.93 |
-8.07 |
0.11 |
0 |
|
|
445250 |
135265509 |
1 |
FNSO6H18C23 |
ABCD6E18F23 |
-187.54 |
10.46 |
-8.71 |
-1.3 |
0 |
|
|
445251 |
135265519 |
1 |
BrNO5C19H20 |
ABC5D19E20 |
-145.67 |
5.3 |
-8.49 |
-1.14 |
0 |
|
|
445252 |
135265529 |
1 |
N2O4C29H44 |
A2B4C29D44 |
-175.87 |
3.84 |
-7.88 |
-0.57 |
0 |
|
|
445253 |
135265532 |
1 |
NO5C22H27 |
AB5C22D27 |
-163.73 |
7.38 |
-8.15 |
-0.14 |
0 |
|
|
445254 |
135265533 |
1 |
NO5C25H25 |
AB5C25D25 |
-125.95 |
1.69 |
-8.13 |
-0.62 |
0 |
|
|
445255 |
135265545 |
1 |
ClNO5C22H26 |
ABC5D22E26 |
-173.46 |
9.45 |
-8.67 |
-0.38 |
0 |
|
|
445256 |
135265547 |
1 |
N2C23H32 |
A2B23C32 |
15.13 |
2.93 |
-8.28 |
0.25 |
0 |
|
|
445257 |
135265604 |
1 |
ClOF3N5C21H29 |
ABC3D5E21F29 |
-145.71 |
2.19 |
-9.21 |
-0.82 |
0 |
|
|
445258 |
135265611 |
1 |
F3N3C16H20 |
A3B3C16D20 |
-130.82 |
4.7 |
-9.49 |
-1.06 |
0 |
|
|
445259 |
135265614 |
1 |
ON2C34H42 |
AB2C34D42 |
13.21 |
3.29 |
-8.52 |
-0.2 |
0 |
|
|
445260 |
135265617 |
1 |
F3N3H22C23 |
A3B3C22D23 |
-69.0 |
3.68 |
-8.66 |
-0.4 |
0 |
|
|
445261 |
135265618 |
1 |
O2N3C24H27 |
A2B3C24D27 |
-3.12 |
3.29 |
-8.78 |
-0.38 |
0 |
|
|
445262 |
135265632 |
1 |
NO3C19H33 |
AB3C19D33 |
-122.05 |
4.03 |
-7.93 |
0.62 |
0 |
|
|
445263 |
135265638 |
1 |
O2N3C7H17 |
A2B3C7D17 |
-74.94 |
2.6 |
-8.58 |
1.09 |
0 |
|
|
445264 |
135265649 |
1 |
O2N3C20H25 |
A2B3C20D25 |
-49.49 |
2.64 |
-9.56 |
-0.49 |
0 |
|
|
445265 |
135265652 |
1 |
FIN3O4H23C27 |
ABC3D4E23F27 |
-103.47 |
8.28 |
-9.21 |
-1.63 |
0 |
|
|
445266 |
135265658 |
1 |
NOC20H25 |
ABC20D25 |
-13.89 |
3.73 |
-9.45 |
-0.2 |
0 |
|
|
445267 |
135265659 |
1 |
SF5O5N6C27H37 |
AB5C5D6E27F37 |
-357.95 |
5.05 |
-6.86 |
-1.35 |
0 |
|
|
445268 |
135265662 |
1 |
ClSN5O5C27H38 |
ABC5D5E27F38 |
-110.39 |
6.97 |
-7.07 |
-0.6 |
0 |
|
|
445269 |
135265682 |
1 |
BrFSN3C9H9 |
ABCD3E9F9 |
11.94 |
2.91 |
-8.81 |
-1.08 |
0 |
|
|
445270 |
135265708 |
1 |
INC19H26 |
ABC19D26 |
38.62 |
1.22 |
-8.46 |
-0.73 |
0 |
|
|
445271 |
135265728 |
1 |
O3N4C21H22 |
A3B4C21D22 |
-29.51 |
8.75 |
-9.16 |
-0.78 |
0 |
|
|
445272 |
135265734 |
1 |
N3O4C25H27 |
A3B4C25D27 |
4.85 |
4.7 |
-8.56 |
-1.2 |
0 |
|
|
445273 |
135265744 |
1 |
N6C13H14 |
A6B13C14 |
118.61 |
2.57 |
-8.08 |
-0.88 |
0 |
|
|
445274 |
135265747 |
1 |
F2O3N5C24H29 |
A2B3C5D24E29 |
-171.77 |
4.51 |
-9.44 |
-0.9 |
0 |
|
|
445275 |
135265748 |
1 |
O3N4H26C27 |
A3B4C26D27 |
-19.86 |
4.69 |
-8.82 |
-0.99 |
0 |
|
|
445276 |
135265749 |
1 |
NO2C7H13 |
AB2C7D13 |
-84.5 |
2.21 |
-8.96 |
0.6 |
0 |
|
|
445277 |
135265768 |
1 |
F3N5C13H16 |
A3B5C13D16 |
-102.64 |
6.77 |
-8.62 |
-0.71 |
0 |
|
|
445278 |
135265773 |
1 |
FO3N4C22H29 |
AB3C4D22E29 |
-134.59 |
6.96 |
-8.51 |
-0.57 |
0 |
|
|
445279 |
135265775 |
1 |
NO2C14H17 |
AB2C14D17 |
-61.15 |
2.11 |
-8.97 |
-0.05 |
0 |
|
|
445280 |
135265787 |
1 |
NO3C14H19 |
AB3C14D19 |
-126.79 |
2.9 |
-9.32 |
-0.23 |
0 |
|
|
445281 |
135265794 |
1 |
ClOS2N4C14H21 |
ABC2D4E14F21 |
56.85 |
5.95 |
-7.18 |
-0.79 |
0 |
|
|
445282 |
135265797 |
1 |
BrNO2C15H18 |
ABC2D15E18 |
-35.64 |
3.57 |
-9.42 |
-0.45 |
0 |
|
|
445283 |
135265852 |
1 |
ON5C11H11 |
AB5C11D11 |
35.13 |
2.13 |
-9.55 |
-1.32 |
0 |
|
|
445284 |
135265859 |
1 |
NBr2S6H37C40 |
AB2C6D37E40 |
196.3 |
4.84 |
-8.35 |
-1.4 |
0 |
|
|
445285 |
135265860 |
1 |
OF2N3C22H35 |
AB2C3D22E35 |
-126.32 |
4.58 |
-8.87 |
0.51 |
0 |
|
|
445286 |
135265862 |
1 |
NOC17H17 |
ABC17D17 |
0.46 |
5.08 |
-8.84 |
-0.4 |
0 |