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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
279200 |
103842009 |
1 |
BrClON2C16H16 |
ABCD2E16F16 |
-0.38 |
3.39 |
-7.95 |
-1.06 |
0 |
|
|
279201 |
103842011 |
1 |
BrClON2C13H14 |
ABCD2E13F14 |
-7.61 |
2.42 |
-9.95 |
-0.98 |
0 |
|
|
279202 |
103842014 |
1 |
BrClNSO2C10H11 |
ABCDE2F10G11 |
-51.71 |
6.94 |
-8.9 |
-0.62 |
0 |
|
|
279203 |
103842018 |
1 |
BrClNOC12H13 |
ABCDE12F13 |
-19.17 |
4.51 |
-9.83 |
-0.9 |
0 |
|
|
279204 |
103842020 |
1 |
BrClON2C16H20 |
ABCD2E16F20 |
-32.18 |
4.59 |
-8.93 |
-0.81 |
0 |
|
|
279205 |
103842027 |
1 |
BrNOCl2H8C10 |
ABCD2E8F10 |
-16.69 |
2.77 |
-9.93 |
-1.03 |
0 |
|
|
279206 |
103842043 |
1 |
BrClON2H12C13 |
ABCD2E12F13 |
27.46 |
2.1 |
-9.94 |
-1.04 |
0 |
|
|
279207 |
103842046 |
1 |
BrClNSO3C12H13 |
ABCDE3F12G13 |
-110.89 |
2.64 |
-10.11 |
-1.16 |
0 |
|
|
279208 |
103842047 |
1 |
BrClNO2C15H19 |
ABCD2E15F19 |
-56.16 |
5.33 |
-9.58 |
-0.6 |
0 |
|
|
279209 |
103842062 |
1 |
BrClNO2C13H15 |
ABCD2E13F15 |
-77.39 |
3.58 |
-9.69 |
-0.97 |
0 |
|
|
279210 |
103842073 |
1 |
BrClNOSC11H11 |
ABCDEF11G11 |
-26.37 |
2.94 |
-8.79 |
-1.14 |
0 |
|
|
279211 |
103842074 |
1 |
ClNOC13H14 |
ABCD13E14 |
6.69 |
1.92 |
-9.51 |
-0.57 |
0 |
|
|
279212 |
103842078 |
1 |
BrClNO3C14H15 |
ABCD3E14F15 |
-117.29 |
5.42 |
-9.71 |
-0.81 |
0 |
|
|
279213 |
103842085 |
1 |
BrClNOH11C12 |
ABCDE11F12 |
8.69 |
3.81 |
-9.88 |
-0.95 |
0 |
|
|
279214 |
103842088 |
1 |
BrClNOSC12H15 |
ABCDEF12G15 |
-39.97 |
1.78 |
-8.72 |
-0.97 |
0 |
|
|
279215 |
103842094 |
1 |
N2O3C12H20 |
A2B3C12D20 |
-139.37 |
2.2 |
-9.35 |
0.36 |
0 |
|
|
279216 |
103842104 |
1 |
BrClNO3C14H17 |
ABCD3E14F17 |
-128.32 |
5.79 |
-9.75 |
-0.75 |
0 |
|
|
279217 |
103842109 |
1 |
BrClNO2H15C16 |
ABCD2E15F16 |
-44.89 |
5.23 |
-8.87 |
-0.97 |
0 |
|
|
279218 |
103842114 |
1 |
BrClNOSC15H15 |
ABCDEF15G15 |
-3.27 |
3.52 |
-9.15 |
-0.85 |
0 |
|
|
279219 |
103842140 |
1 |
BrClFNO2H10C14 |
ABCDE2F10G14 |
-79.24 |
3.17 |
-8.98 |
-1.1 |
0 |
|
|
279220 |
103842144 |
1 |
BrClNOC11H11 |
ABCDE11F11 |
-13.11 |
4.36 |
-9.86 |
-0.9 |
0 |
|
|
279221 |
103842145 |
1 |
BrClNO2C11H11 |
ABCD2E11F11 |
-67.0 |
4.97 |
-9.76 |
-0.78 |
0 |
|
|
279222 |
103842156 |
1 |
BrClFNOH10C14 |
ABCDEF10G14 |
-38.26 |
5.18 |
-9.28 |
-1.02 |
0 |
|
|
279223 |
103842160 |
1 |
BrClNO2C16H19 |
ABCD2E16F19 |
-90.09 |
5.58 |
-9.56 |
-0.79 |
0 |
|
|
279224 |
103842165 |
1 |
BrClN2O3H10C14 |
ABC2D3E10F14 |
-1.94 |
2.33 |
-10.06 |
-1.48 |
0 |
|
|
279225 |
103842171 |
1 |
BrClON2H12C15 |
ABCD2E12F15 |
10.95 |
2.73 |
-9.82 |
-0.92 |
0 |
|
|
279226 |
103842175 |
1 |
BrClON3H9C11 |
ABCD3E9F11 |
28.0 |
2.99 |
-9.39 |
-1.27 |
0 |
|
|
279227 |
103842178 |
1 |
NO2C10H21 |
AB2C10D21 |
-115.02 |
1.56 |
-8.86 |
1.98 |
0 |
|
|
279228 |
103842185 |
1 |
NOC11H23 |
ABC11D23 |
-86.48 |
3.37 |
-8.82 |
2.59 |
0 |
|
|
279229 |
103842193 |
1 |
BrFNOC14H15 |
ABCDE14F15 |
-64.01 |
2.78 |
-9.3 |
-0.96 |
0 |
|
|
279230 |
103842197 |
1 |
BrClFON2H7C12 |
ABCDE2F7G12 |
-22.32 |
4.73 |
-9.69 |
-1.04 |
0 |
|
|
279231 |
103842201 |
1 |
INOC14H16 |
ABCD14E16 |
-2.3 |
3.66 |
-9.52 |
-1.06 |
0 |
|
|
279232 |
103842203 |
1 |
ClNO2C12H14 |
ABC2D12E14 |
-53.88 |
3.02 |
-9.41 |
-0.58 |
0 |
|
|
279233 |
103842204 |
1 |
ON2C14H20 |
AB2C14D20 |
-29.32 |
2.9 |
-9.36 |
0.62 |
0 |
|
|
279234 |
103842212 |
1 |
BrNO2C15H18 |
ABC2D15E18 |
-54.9 |
3.72 |
-9.23 |
-0.41 |
0 |
|
|
279235 |
103842213 |
2 |
NOC6H9 |
ABC6D9 |
-93.34 |
4.21 |
-9.62 |
0.78 |
0 |
|
|
279236 |
103842214 |
1 |
FNOC15H18 |
ABCD15E18 |
-74.16 |
2.84 |
-9.49 |
-0.41 |
0 |
|
|
279237 |
103842218 |
1 |
NOF2C14H15 |
ABC2D14E15 |
-110.32 |
2.94 |
-9.28 |
-0.85 |
0 |
|
|
279238 |
103842219 |
1 |
ClON2C13H15 |
ABC2D13E15 |
-15.58 |
3.92 |
-9.37 |
-0.88 |
0 |
|
|
279239 |
103842220 |
1 |
BrNOSC12H14 |
ABCDE12F14 |
-14.38 |
3.38 |
-9.34 |
-1.01 |
0 |
|
|
279240 |
103842223 |
1 |
NO2C12H21 |
AB2C12D21 |
-104.25 |
2.67 |
-9.24 |
1.08 |
0 |
|
|
279241 |
103842230 |
1 |
BrNOSC12H14 |
ABCDE12F14 |
-5.89 |
3.49 |
-9.43 |
-0.95 |
0 |
|
|
279242 |
103842231 |
2 |
NOC8H9 |
ABC8D9 |
-63.06 |
4.68 |
-9.24 |
-0.6 |
0 |
|
|
279243 |
103842237 |
1 |
BrNO2C15H18 |
ABC2D15E18 |
-57.82 |
4.0 |
-9.06 |
-0.57 |
0 |
|
|
279244 |
103842243 |
1 |
NOSC12H15 |
ABCD12E15 |
-14.48 |
3.8 |
-9.36 |
-0.65 |
0 |
|
|
279245 |
103842260 |
1 |
NOF4C15H15 |
ABC4D15E15 |
-228.65 |
4.09 |
-9.34 |
-1.14 |
0 |
|
|
279246 |
103842261 |
1 |
NOF4C15H15 |
ABC4D15E15 |
-226.99 |
6.65 |
-9.66 |
-1.16 |
0 |
|
|
279247 |
103842267 |
1 |
ON2C12H18 |
AB2C12D18 |
-30.14 |
1.6 |
-9.45 |
0.78 |
0 |
|
|
279248 |
103842277 |
1 |
BrON2C13H15 |
ABC2D13E15 |
-5.91 |
3.66 |
-9.52 |
-1.01 |
0 |
|
|
279249 |
103842286 |
1 |
BrClNOC13H17 |
ABCDE13F17 |
-43.86 |
4.26 |
-9.48 |
-0.76 |
0 |
|
|
279250 |
103842297 |
1 |
ON3C16H19 |
AB3C16D19 |
11.02 |
10.62 |
-9.6 |
-1.27 |
0 |
|
|
279251 |
103842298 |
1 |
NOC19H25 |
ABC19D25 |
-20.85 |
1.32 |
-9.24 |
0.17 |
0 |
|
|
279252 |
103842300 |
1 |
NOF3C14H20 |
ABC3D14E20 |
-209.32 |
1.28 |
-9.8 |
-0.2 |
0 |
|
|
279253 |
103842302 |
1 |
ClON2H13C16 |
ABC2D13E16 |
14.41 |
5.96 |
-9.55 |
-0.74 |
0 |
|
|
279254 |
103842303 |
1 |
ClNOBr2F2H6C13 |
ABCD2E2F6G13 |
-77.86 |
3.21 |
-9.54 |
-1.22 |
0 |
|
|
279255 |
103842304 |
1 |
BrClON2H10C15 |
ABCD2E10F15 |
40.72 |
2.67 |
-9.67 |
-1.14 |
0 |
|
|
279256 |
103842305 |
1 |
ON4C11H18 |
AB4C11D18 |
-15.53 |
5.22 |
-9.37 |
0.56 |
0 |
|
|
279257 |
103842306 |
1 |
NSO3C9H19 |
ABC3D9E19 |
-148.44 |
3.32 |
-9.28 |
0.84 |
0 |
|
|
279258 |
103842315 |
1 |
ON3C10H17 |
AB3C10D17 |
-14.39 |
4.17 |
-8.86 |
0.77 |
0 |
|
|
279259 |
103842320 |
1 |
BrClNO4C13H13 |
ABCD4E13F13 |
-140.54 |
1.16 |
-9.84 |
-1.04 |
0 |
|
|
279260 |
103842331 |
1 |
FINOH13C14 |
ABCDE13F14 |
27.26 |
4.1 |
-9.67 |
-1.37 |
0 |
|
|
279261 |
103842336 |
2 |
NOC8H8 |
ABC8D8 |
0.21 |
4.26 |
-9.26 |
-0.58 |
0 |
|
|
279262 |
103842346 |
1 |
BrClON4H8C10 |
ABCD4E8F10 |
39.22 |
2.65 |
-9.8 |
-1.36 |
0 |
|
|
279263 |
103842377 |
2 |
ClNOC7H10 |
ABCD7E10 |
-109.66 |
5.17 |
-9.11 |
-0.49 |
0 |
|
|
279264 |
103842421 |
1 |
FON2C13H15 |
ABC2D13E15 |
-55.15 |
5.67 |
-9.57 |
-0.91 |
0 |
|
|
279265 |
103842430 |
1 |
ClN2O3C14H15 |
AB2C3D14E15 |
-31.77 |
6.16 |
-9.59 |
-1.81 |
0 |
|
|
279266 |
103842435 |
1 |
BrClNO2H9C13 |
ABCD2E9F13 |
-37.29 |
3.84 |
-8.69 |
-1.1 |
0 |
|
|
279267 |
103842454 |
1 |
BrNOF3H9C14 |
ABCD3E9F14 |
-136.24 |
4.82 |
-9.34 |
-1.07 |
0 |
|
|
279268 |
103842484 |
1 |
BrNOF3H7C13 |
ABCD3E7F13 |
-125.53 |
5.75 |
-9.29 |
-1.02 |
0 |
|
|
279269 |
103842497 |
1 |
BrINOSF2H5C11 |
ABCDEF2G5H11 |
-54.08 |
4.73 |
-9.29 |
-1.63 |
0 |
|
|
279270 |
103842502 |
1 |
BrClNOF3H6C13 |
ABCDE3F6G13 |
-132.65 |
4.99 |
-9.38 |
-1.27 |
0 |
|
|
279271 |
103842543 |
1 |
BrNOSF2H8C9 |
ABCDE2F8G9 |
-110.74 |
3.53 |
-9.2 |
-0.89 |
0 |
|
|
279272 |
103842607 |
1 |
BrNOF2C12H12 |
ABCD2E12F12 |
-113.03 |
4.86 |
-9.26 |
-0.78 |
0 |
|
|
279273 |
103842661 |
1 |
BrF2N2O2H9C10 |
AB2C2D2E9F10 |
-159.81 |
5.89 |
-9.21 |
-0.81 |
0 |
|
|
279274 |
103842668 |
1 |
BrNOSF2H8C12 |
ABCDE2F8G12 |
-81.13 |
4.34 |
-9.29 |
-0.86 |
0 |
|
|
279275 |
103842673 |
1 |
BrOF2N2H9C12 |
ABC2D2E9F12 |
-80.84 |
4.4 |
-9.16 |
-0.88 |
0 |
|
|
279276 |
103842685 |
1 |
BrNOF2C12H14 |
ABCD2E12F14 |
-134.0 |
5.21 |
-9.17 |
-0.72 |
0 |
|
|
279277 |
103842705 |
1 |
BrNOF2H8C13 |
ABCD2E8F13 |
-78.63 |
5.33 |
-9.27 |
-0.95 |
0 |
|
|
279278 |
103842771 |
1 |
BrF2N2O2C11H11 |
AB2C2D2E11F11 |
-147.43 |
3.98 |
-9.28 |
-0.83 |
0 |
|
|
279279 |
103842789 |
1 |
BrClO2C10H10 |
ABC2D10E10 |
-79.97 |
1.71 |
-9.92 |
-1.14 |
0 |
|
|
279280 |
103842808 |
1 |
BrClON2H6C9 |
ABCD2E6F9 |
13.26 |
2.78 |
-10.09 |
-1.15 |
0 |
|
|
279281 |
103842816 |
1 |
BrClON2H12C16 |
ABCD2E12F16 |
37.47 |
1.97 |
-9.33 |
-1.1 |
0 |
|
|
279282 |
103842817 |
1 |
BrClON4H8C10 |
ABCD4E8F10 |
32.69 |
4.19 |
-9.38 |
-1.03 |
0 |
|
|
279283 |
103842823 |
1 |
BrClON3C14H15 |
ABCD3E14F15 |
4.25 |
4.7 |
-9.23 |
-1.09 |
0 |
|
|
279284 |
103842830 |
1 |
BrClON5H7C9 |
ABCD5E7F9 |
61.51 |
4.73 |
-9.97 |
-0.99 |
0 |
|
|
279285 |
103842888 |
1 |
BrNF2O3C14H16 |
ABC2D3E14F16 |
-217.01 |
6.75 |
-9.3 |
-0.85 |
0 |
|
|
279286 |
103842890 |
1 |
BrNF2O3C13H14 |
ABC2D3E13F14 |
-224.48 |
6.46 |
-9.65 |
-1.19 |
0 |
|
|
279287 |
103842901 |
1 |
N3C9H17 |
A3B9C17 |
14.98 |
1.56 |
-9.12 |
1.33 |
0 |
|
|
279288 |
103842911 |
1 |
BrClNO2H13C15 |
ABCD2E13F15 |
-39.68 |
4.71 |
-9.31 |
-0.76 |
0 |
|
|
279289 |
103842912 |
1 |
BrClNO2C13H17 |
ABCD2E13F17 |
-87.92 |
2.62 |
-9.93 |
-1.01 |
0 |
|
|
279290 |
103842913 |
1 |
N3C12H23 |
A3B12C23 |
0.07 |
1.5 |
-9.04 |
1.37 |
0 |
|
|
279291 |
103842919 |
1 |
ON3C12H27 |
AB3C12D27 |
-71.59 |
3.3 |
-9.05 |
1.25 |
0 |
|
|
279292 |
103842921 |
1 |
ON3C11H25 |
AB3C11D25 |
-66.94 |
4.85 |
-9.14 |
1.05 |
0 |
|
|
279293 |
103842922 |
1 |
ON3C10H23 |
AB3C10D23 |
-61.77 |
2.89 |
-9.17 |
1.24 |
0 |
|
|
279294 |
103842923 |
1 |
NO2C14H29 |
AB2C14D29 |
-151.2 |
2.9 |
-9.76 |
1.24 |
0 |
|
|
279295 |
103842930 |
1 |
NO3C14H27 |
AB3C14D27 |
-183.48 |
3.55 |
-9.74 |
1.06 |
0 |
|
|
279296 |
103842936 |
1 |
ClNSO2C13H18 |
ABCD2E13F18 |
-93.68 |
4.01 |
-8.95 |
-0.43 |
0 |
|
|
279297 |
103842943 |
1 |
NF2O2C11H21 |
AB2C2D11E21 |
-232.11 |
5.17 |
-10.12 |
0.81 |
0 |
|
|
279298 |
103842969 |
1 |
BrClNO2C10H11 |
ABCD2E10F11 |
-76.8 |
3.51 |
-9.83 |
-0.93 |
0 |
|
|
279299 |
103842972 |
1 |
BrClNO2H11C14 |
ABCD2E11F14 |
-46.1 |
4.54 |
-8.55 |
-1.07 |
0 |