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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
77252 |
48425977 |
1 |
BrN2O4C15H21 |
AB2C4D15E21 |
-147.83 |
3.78 |
-8.56 |
-0.6 |
0 |
|
|
77253 |
48425979 |
1 |
N3O3C18H25 |
A3B3C18D25 |
-137.83 |
1.66 |
-8.79 |
0.0 |
0 |
|
|
77254 |
48425980 |
1 |
BrO3N4C17H21 |
AB3C4D17E21 |
-104.92 |
6.22 |
-9.21 |
-0.93 |
0 |
|
|
77255 |
48425981 |
1 |
ClN3O3C18H22 |
AB3C3D18E22 |
-100.47 |
4.86 |
-9.12 |
-0.93 |
0 |
|
|
77256 |
48425982 |
2 |
N2O2C10H17 |
A2B2C10D17 |
-220.19 |
4.36 |
-9.41 |
-0.06 |
0 |
|
|
77257 |
48425983 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-99.79 |
2.63 |
-9.2 |
-0.99 |
0 |
|
|
77258 |
48425984 |
1 |
O2N3C19H25 |
A2B3C19D25 |
-48.24 |
5.66 |
-9.53 |
-0.95 |
0 |
|
|
77259 |
48425985 |
1 |
O2N3C17H21 |
A2B3C17D21 |
-38.35 |
6.74 |
-9.42 |
-0.87 |
0 |
|
|
77260 |
48425986 |
1 |
O3N4C21H30 |
A3B4C21D30 |
-100.37 |
8.73 |
-8.72 |
-0.4 |
0 |
|
|
77261 |
48425987 |
1 |
SN3O4C16H23 |
AB3C4D16E23 |
-133.66 |
4.6 |
-9.6 |
-0.94 |
0 |
|
|
77262 |
48425988 |
1 |
ClSN3O4C15H22 |
ABC3D4E15F22 |
-156.78 |
5.17 |
-9.65 |
-1.06 |
0 |
|
|
77263 |
48425989 |
1 |
SN3O4C15H23 |
AB3C4D15E23 |
-157.58 |
5.4 |
-9.53 |
-0.94 |
0 |
|
|
77264 |
48425990 |
1 |
F2N3O3C18H21 |
A2B3C3D18E21 |
-184.29 |
4.4 |
-9.3 |
-1.06 |
0 |
|
|
77265 |
48425992 |
2 |
ON2C7H12 |
AB2C7D12 |
-85.38 |
3.46 |
-8.99 |
0.83 |
0 |
|
|
77266 |
48425994 |
1 |
ClSO2N5C16H20 |
ABC2D5E16F20 |
-27.06 |
5.42 |
-8.91 |
-0.93 |
0 |
|
|
77267 |
48425996 |
1 |
O2N4C21H32 |
A2B4C21D32 |
-72.55 |
9.16 |
-8.52 |
-0.43 |
0 |
|
|
77268 |
48425997 |
2 |
ON2C10H15 |
AB2C10D15 |
-65.69 |
9.73 |
-8.46 |
-0.21 |
0 |
|
|
77269 |
48425999 |
1 |
SO2N5C19H27 |
AB2C5D19E27 |
-36.94 |
8.35 |
-8.97 |
-0.58 |
0 |
|
|
77270 |
48426000 |
1 |
O3N4C20H30 |
A3B4C20D30 |
-96.52 |
9.4 |
-8.56 |
-0.55 |
0 |
|
|
77271 |
48426001 |
1 |
F3N3O3C14H18 |
A3B3C3D14E18 |
-281.8 |
6.43 |
-9.72 |
-1.21 |
0 |
|
|
77272 |
48426002 |
1 |
BrClN2O3C15H20 |
ABC2D3E15F20 |
-126.21 |
4.17 |
-9.12 |
-0.53 |
0 |
|
|
77273 |
48426003 |
1 |
SN3O4C19H31 |
AB3C4D19E31 |
-179.99 |
8.65 |
-9.4 |
-0.48 |
0 |
|
|
77274 |
48426004 |
1 |
N3O5C16H23 |
A3B5C16D23 |
-189.78 |
2.61 |
-8.99 |
-0.57 |
0 |
|
|
77275 |
48426006 |
1 |
ClSN3O4C17H26 |
ABC3D4E17F26 |
-176.12 |
3.91 |
-9.38 |
-1.03 |
0 |
|
|
77276 |
48426007 |
1 |
N3O4C16H23 |
A3B4C16D23 |
-174.25 |
1.72 |
-9.25 |
-0.48 |
0 |
|
|
77277 |
48426008 |
1 |
N3O3C15H19 |
A3B3C15D19 |
-66.13 |
5.3 |
-9.58 |
-0.71 |
0 |
|
|
77278 |
48426009 |
1 |
N3O4C17H27 |
A3B4C17D27 |
-190.13 |
5.78 |
-8.75 |
0.33 |
0 |
|
|
77279 |
48426010 |
1 |
O2N3C17H23 |
A2B3C17D23 |
-67.42 |
4.37 |
-8.32 |
0.18 |
0 |
|
|
77280 |
48426011 |
1 |
N3O3C18H25 |
A3B3C18D25 |
-132.37 |
4.51 |
-8.61 |
0.01 |
0 |
|
|
77281 |
48426013 |
1 |
ClO2N4C19H25 |
AB2C4D19E25 |
-65.09 |
3.01 |
-9.5 |
-0.33 |
0 |
|
|
77282 |
48426014 |
1 |
ClO2N4C18H23 |
AB2C4D18E23 |
-47.6 |
2.83 |
-9.49 |
-0.22 |
0 |
|
|
77283 |
48426015 |
2 |
ClON2C9H11 |
ABC2D9E11 |
-55.46 |
3.61 |
-9.53 |
-0.49 |
0 |
|
|
77284 |
48426017 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-95.22 |
3.67 |
-9.04 |
-0.59 |
0 |
|
|
77285 |
48426018 |
1 |
O2N5C16H21 |
A2B5C16D21 |
-13.97 |
3.73 |
-9.56 |
-0.39 |
0 |
|
|
77286 |
48426019 |
1 |
ClO2N4C17H21 |
AB2C4D17E21 |
-49.5 |
3.81 |
-9.38 |
-0.93 |
0 |
|
|
77287 |
48426020 |
1 |
SN2O3C16H24 |
AB2C3D16E24 |
-138.79 |
3.65 |
-9.33 |
-0.43 |
0 |
|
|
77288 |
48426021 |
1 |
ClO2N4C12H19 |
AB2C4D12E19 |
-73.78 |
2.69 |
-9.53 |
-0.11 |
0 |
|
|
77289 |
48426022 |
1 |
N2O3C22H26 |
A2B3C22D26 |
-78.44 |
2.61 |
-8.99 |
-0.61 |
0 |
|
|
77290 |
48426023 |
1 |
O3N4C17H24 |
A3B4C17D24 |
-118.06 |
3.0 |
-8.57 |
-0.11 |
0 |
|
|
77291 |
48426024 |
1 |
N4O4C17H28 |
A4B4C17D28 |
-208.3 |
4.27 |
-9.64 |
0.15 |
0 |
|
|
77292 |
48426025 |
1 |
FN2O3C16H23 |
AB2C3D16E23 |
-175.69 |
3.41 |
-9.02 |
-0.15 |
0 |
|
|
77293 |
48426026 |
1 |
ClN3O3C18H22 |
AB3C3D18E22 |
-99.25 |
3.25 |
-9.22 |
-0.83 |
0 |
|
|
77294 |
48426027 |
1 |
FN3O3C18H22 |
AB3C3D18E22 |
-138.64 |
4.41 |
-9.14 |
-0.82 |
0 |
|
|
77295 |
48426028 |
1 |
N2O3C16H22 |
A2B3C16D22 |
-122.71 |
2.04 |
-8.6 |
0.18 |
0 |
|
|
77296 |
48426029 |
1 |
N3O3C17H23 |
A3B3C17D23 |
-112.34 |
5.87 |
-9.09 |
-0.15 |
0 |
|
|
77297 |
48426031 |
2 |
ON2C9H12 |
AB2C9D12 |
-49.02 |
2.91 |
-9.18 |
-0.42 |
0 |
|
|
77298 |
48426032 |
2 |
ON2C10H14 |
AB2C10D14 |
-63.93 |
3.87 |
-9.25 |
0.01 |
0 |
|
|
77299 |
48426034 |
1 |
ClN2O4C17H23 |
AB2C4D17E23 |
-168.98 |
3.17 |
-8.92 |
-0.26 |
0 |
|
|
77300 |
48426035 |
1 |
N3O4C14H19 |
A3B4C14D19 |
-88.17 |
5.82 |
-9.67 |
-1.36 |
0 |
|
|
77301 |
48426036 |
1 |
SN3O4C20H31 |
AB3C4D20E31 |
-174.07 |
8.93 |
-9.01 |
-0.44 |
0 |
|
|
77302 |
48426037 |
1 |
N3O3C15H29 |
A3B3C15D29 |
-181.63 |
3.39 |
-9.53 |
0.91 |
0 |
|
|
77303 |
48426038 |
1 |
N3O4C17H25 |
A3B4C17D25 |
-185.29 |
1.65 |
-9.65 |
0.0 |
0 |
|
|
77304 |
48426039 |
1 |
O2N3C17H23 |
A2B3C17D23 |
-80.3 |
1.25 |
-8.52 |
-0.38 |
0 |
|
|
77305 |
48426040 |
1 |
SN2O4C16H22 |
AB2C4D16E22 |
-151.02 |
4.22 |
-8.45 |
-0.26 |
0 |
|
|
77306 |
48426041 |
1 |
ClN2O2C16H23 |
AB2C2D16E23 |
-109.23 |
3.28 |
-9.23 |
-0.01 |
0 |
|
|
77307 |
48426042 |
1 |
ClN2O2C15H21 |
AB2C2D15E21 |
-99.55 |
4.11 |
-9.52 |
-0.08 |
0 |
|
|
77308 |
48426043 |
1 |
ClSN3O4C16H24 |
ABC3D4E16F24 |
-174.94 |
5.13 |
-9.72 |
-1.1 |
0 |
|
|
77309 |
48426044 |
1 |
SN3O5C18H29 |
AB3C5D18E29 |
-217.3 |
6.36 |
-9.57 |
-0.59 |
0 |
|
|
77310 |
48426045 |
1 |
ClSN3O4C17H24 |
ABC3D4E17F24 |
-164.54 |
5.46 |
-9.8 |
-0.97 |
0 |
|
|
77311 |
48426046 |
1 |
SN3O4C14H21 |
AB3C4D14E21 |
-149.04 |
7.69 |
-9.86 |
-0.85 |
0 |
|
|
77312 |
48426047 |
1 |
Cl2N3O3C18H25 |
A2B3C3D18E25 |
-153.83 |
5.58 |
-9.78 |
-0.81 |
0 |
|
|
77313 |
48426048 |
1 |
SN3O4C15H23 |
AB3C4D15E23 |
-162.1 |
6.87 |
-9.79 |
-0.61 |
0 |
|
|
77314 |
48426049 |
1 |
S2N3O4C17H27 |
A2B3C4D17E27 |
-166.07 |
4.81 |
-9.29 |
-0.93 |
0 |
|
|
77315 |
48426050 |
1 |
ClN2O3C20H23 |
AB2C3D20E23 |
-98.09 |
0.93 |
-9.24 |
-0.3 |
0 |
|
|
77316 |
48426051 |
1 |
O2N4C17H22 |
A2B4C17D22 |
-34.9 |
3.96 |
-9.04 |
-0.49 |
0 |
|
|
77317 |
48426052 |
1 |
F2N3O6C17H21 |
A2B3C6D17E21 |
-248.81 |
7.56 |
-9.74 |
-1.68 |
0 |
|
|
77318 |
48426053 |
1 |
SN3O6C17H27 |
AB3C6D17E27 |
-234.97 |
8.54 |
-9.64 |
-0.67 |
0 |
|
|
77319 |
48426054 |
1 |
SN3O4C18H29 |
AB3C4D18E29 |
-187.0 |
9.31 |
-9.8 |
-0.49 |
0 |
|
|
77320 |
48426055 |
1 |
ClSN3O5C16H24 |
ABC3D5E16F24 |
-201.32 |
6.76 |
-9.76 |
-1.04 |
0 |
|
|
77321 |
48426056 |
1 |
N3O3C21H29 |
A3B3C21D29 |
-115.0 |
6.5 |
-9.25 |
-0.15 |
0 |
|
|
77322 |
48426057 |
1 |
N3O4C19H23 |
A3B4C19D23 |
-126.95 |
3.01 |
-8.98 |
-0.72 |
0 |
|
|
77323 |
48426058 |
1 |
S2N3O4C17H27 |
A2B3C4D17E27 |
-156.95 |
4.36 |
-8.68 |
-0.6 |
0 |
|
|
77324 |
48426059 |
1 |
SN3O4C17H25 |
AB3C4D17E25 |
-145.4 |
5.82 |
-9.66 |
-0.74 |
0 |
|
|
77325 |
48426061 |
1 |
N3O4C17H23 |
A3B4C17D23 |
-154.56 |
1.5 |
-8.94 |
-0.56 |
0 |
|
|
77326 |
48426062 |
1 |
SN3O4C17H27 |
AB3C4D17E27 |
-166.6 |
4.92 |
-9.66 |
-0.95 |
0 |
|
|
77327 |
48426063 |
1 |
N4O4C17H28 |
A4B4C17D28 |
-199.0 |
4.75 |
-9.59 |
0.01 |
0 |
|
|
77328 |
48426064 |
1 |
ClO2N3C19H24 |
AB2C3D19E24 |
-70.93 |
3.85 |
-8.41 |
-0.76 |
0 |
|
|
77329 |
48426065 |
1 |
O2N4C19H24 |
A2B4C19D24 |
-27.1 |
0.88 |
-9.04 |
-0.57 |
0 |
|
|
77330 |
48426066 |
1 |
N2O2F3C14H17 |
A2B2C3D14E17 |
-234.68 |
3.64 |
-9.71 |
-0.79 |
0 |
|
|
77331 |
48426071 |
1 |
SN3O4C17H21 |
AB3C4D17E21 |
-156.51 |
4.57 |
-9.69 |
-0.98 |
0 |
|
|
77332 |
48426094 |
1 |
S2N3O4C15H23 |
A2B3C4D15E23 |
-151.13 |
1.93 |
-9.38 |
-1.08 |
0 |
|
|
77333 |
48426102 |
1 |
SN3O4C10H21 |
AB3C4D10E21 |
-191.56 |
6.62 |
-9.74 |
0.5 |
0 |
|
|
77334 |
48426106 |
1 |
N2O3C18H28 |
A2B3C18D28 |
-134.68 |
2.31 |
-8.98 |
0.18 |
0 |
|
|
77335 |
48426117 |
1 |
N4O4C15H24 |
A4B4C15D24 |
-192.06 |
4.4 |
-9.61 |
-0.14 |
0 |
|
|
77336 |
48426133 |
1 |
N3O3C22H27 |
A3B3C22D27 |
-97.56 |
4.84 |
-9.64 |
-0.25 |
0 |
|
|
77337 |
48426138 |
1 |
N3O4C17H21 |
A3B4C17D21 |
-160.99 |
2.58 |
-9.45 |
-0.48 |
0 |
|
|
77338 |
48426140 |
1 |
N2O3C19H28 |
A2B3C19D28 |
-138.92 |
6.02 |
-9.72 |
-0.52 |
0 |
|
|
77339 |
48426141 |
1 |
N3O3C19H29 |
A3B3C19D29 |
-142.38 |
3.38 |
-9.55 |
-0.06 |
0 |
|
|
77340 |
48426143 |
1 |
SN3O3C16H25 |
AB3C3D16E25 |
-129.73 |
3.6 |
-9.4 |
-0.91 |
0 |
|
|
77341 |
48426144 |
1 |
SN3O4C16H25 |
AB3C4D16E25 |
-168.58 |
6.12 |
-9.67 |
-0.62 |
0 |
|
|
77342 |
48426159 |
1 |
O2N3C16H19 |
A2B3C16D19 |
-29.94 |
3.85 |
-9.66 |
-1.02 |
0 |
|
|
77343 |
48426162 |
1 |
SO3N6C13H18 |
AB3C6D13E18 |
-33.97 |
4.34 |
-9.22 |
-1.03 |
0 |
|
|
77344 |
48426183 |
1 |
SN3O4C17H21 |
AB3C4D17E21 |
-127.7 |
2.91 |
-9.02 |
-1.09 |
0 |
|
|
77345 |
48426185 |
1 |
N2O3C17H26 |
A2B3C17D26 |
-115.75 |
2.74 |
-8.68 |
0.69 |
0 |
|
|
77346 |
48426186 |
1 |
O3N4C15H20 |
A3B4C15D20 |
-63.67 |
9.4 |
-10.0 |
-1.07 |
0 |
|
|
77347 |
48426187 |
1 |
N3O4C17H25 |
A3B4C17D25 |
-159.19 |
6.9 |
-9.32 |
0.08 |
0 |
|
|
77348 |
48426188 |
1 |
FSN3O4C18H26 |
ABC3D4E18F26 |
-210.26 |
7.48 |
-9.42 |
-0.47 |
0 |
|
|
77349 |
48426213 |
1 |
N2O2S2C17H24 |
A2B2C2D17E24 |
-76.86 |
5.0 |
-8.64 |
-0.38 |
0 |
|
|
77350 |
48426214 |
1 |
SN2O2C15H22 |
AB2C2D15E22 |
-80.55 |
3.84 |
-8.62 |
-0.33 |
0 |
|
|
77351 |
48426227 |
1 |
FN2O3C16H19 |
AB2C3D16E19 |
-141.2 |
2.6 |
-9.23 |
-0.84 |
0 |