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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
439337 |
135229108 |
1 |
S2N3O5C32H37 |
A2B3C5D32E37 |
-158.64 |
11.68 |
-8.59 |
-1.17 |
0 |
|
|
439338 |
135229109 |
1 |
O3N4C22H32 |
A3B4C22D32 |
-79.51 |
4.79 |
-8.7 |
-0.15 |
0 |
|
|
439339 |
135229110 |
1 |
O2N3C13H23 |
A2B3C13D23 |
-82.33 |
5.24 |
-8.87 |
-0.06 |
0 |
|
|
439340 |
135229111 |
1 |
N5O5H39C42 |
A5B5C39D42 |
-33.28 |
6.67 |
-8.08 |
-0.86 |
0 |
|
|
439341 |
135229112 |
1 |
O2N5C17H23 |
A2B5C17D23 |
-10.32 |
3.77 |
-8.93 |
-0.48 |
0 |
|
|
439342 |
135229113 |
1 |
O2N3C14H17 |
A2B3C14D17 |
-18.24 |
3.53 |
-8.62 |
-0.41 |
0 |
|
|
439343 |
135229114 |
1 |
ON5C12H15 |
AB5C12D15 |
21.44 |
4.0 |
-8.76 |
-0.12 |
0 |
|
|
439344 |
135229115 |
1 |
O2N6C15H24 |
A2B6C15D24 |
-30.66 |
2.46 |
-8.73 |
-0.23 |
0 |
|
|
439345 |
135229116 |
2 |
ON2C10H14 |
AB2C10D14 |
-32.26 |
3.13 |
-8.97 |
-0.49 |
0 |
|
|
439346 |
135229117 |
1 |
O2N6C21H30 |
A2B6C21D30 |
3.13 |
4.52 |
-8.02 |
-0.01 |
0 |
|
|
439347 |
135229118 |
1 |
O2N5C17H21 |
A2B5C17D21 |
26.09 |
2.78 |
-8.82 |
-0.62 |
0 |
|
|
439348 |
135229119 |
1 |
O2N3C16H29 |
A2B3C16D29 |
-95.7 |
2.82 |
-8.99 |
-0.28 |
0 |
|
|
439349 |
135229120 |
1 |
SN2C11H18 |
AB2C11D18 |
5.8 |
3.05 |
-8.64 |
-0.43 |
0 |
|
|
439350 |
135229121 |
1 |
NOC15H23 |
ABC15D23 |
-66.81 |
4.07 |
-9.48 |
-0.06 |
0 |
|
|
439351 |
135229122 |
1 |
O2N4C23H30 |
A2B4C23D30 |
-30.16 |
3.65 |
-8.9 |
-0.98 |
0 |
|
|
439352 |
135229123 |
1 |
O2N5C17H25 |
A2B5C17D25 |
68.14 |
2.17 |
-9.26 |
-2.52 |
0 |
|
|
439353 |
135229124 |
1 |
O2N5C21H27 |
A2B5C21D27 |
-9.75 |
4.3 |
-8.89 |
-0.68 |
0 |
|
|
439354 |
135229125 |
1 |
ClI2N2O3H21C26 |
AB2C2D3E21F26 |
0.53 |
6.68 |
-8.67 |
-1.64 |
0 |
|
|
439355 |
135229126 |
1 |
O2N5C20H27 |
A2B5C20D27 |
-10.48 |
2.51 |
-8.61 |
-0.8 |
0 |
|
|
439356 |
135229127 |
1 |
O3N6C16H22 |
A3B6C16D22 |
-67.81 |
2.16 |
-8.95 |
-0.94 |
0 |
|
|
439357 |
135229128 |
1 |
ON6C15H22 |
AB6C15D22 |
16.24 |
6.03 |
-8.76 |
-0.5 |
0 |
|
|
439358 |
135229130 |
1 |
ON5C18H27 |
AB5C18D27 |
-14.82 |
5.39 |
-8.56 |
0.01 |
0 |
|
|
439359 |
135229131 |
1 |
N5O11C55H57 |
A5B11C55D57 |
-236.77 |
12.66 |
-8.01 |
-0.86 |
0 |
|
|
439360 |
135229132 |
1 |
NC11H19 |
AB11C19 |
13.27 |
1.49 |
-8.01 |
0.79 |
0 |
|
|
439361 |
135229134 |
1 |
NO3C7H7 |
AB3C7D7 |
-87.48 |
2.9 |
-9.08 |
-0.75 |
0 |
|
|
439362 |
135229135 |
1 |
ON5C17H25 |
AB5C17D25 |
-12.11 |
2.38 |
-8.89 |
-0.24 |
0 |
|
|
439363 |
135229136 |
2 |
ON2C6H10 |
AB2C6D10 |
-46.03 |
4.21 |
-8.48 |
0.05 |
0 |
|
|
439364 |
135229137 |
2 |
NO2C10H13 |
AB2C10D13 |
-152.05 |
2.6 |
-8.6 |
-0.37 |
0 |
|
|
439365 |
135229138 |
1 |
ON5C20H25 |
AB5C20D25 |
13.79 |
2.96 |
-8.69 |
-0.59 |
0 |
|
|
439366 |
135229139 |
1 |
ON6C17H28 |
AB6C17D28 |
-10.83 |
3.51 |
-8.95 |
-0.12 |
0 |
|
|
439367 |
135229140 |
1 |
N4O7C31H46 |
A4B7C31D46 |
-323.08 |
1.95 |
-8.59 |
-0.33 |
0 |
|
|
439368 |
135229141 |
1 |
N4O6C31H48 |
A4B6C31D48 |
-277.68 |
2.31 |
-8.53 |
-0.29 |
0 |
|
|
439369 |
135229142 |
1 |
N8O11C35H48 |
A8B11C35D48 |
-310.29 |
8.91 |
-9.16 |
-1.54 |
0 |
|
|
439370 |
135229143 |
1 |
NO3C9H11 |
AB3C9D11 |
-87.71 |
6.82 |
-8.51 |
-0.34 |
0 |
|
|
439371 |
135229144 |
1 |
ClO2N4C19H25 |
AB2C4D19E25 |
-62.45 |
3.51 |
-9.13 |
-0.62 |
0 |
|
|
439372 |
135229145 |
3 |
NC4H7 |
AB4C7 |
-5.36 |
3.79 |
-9.06 |
0.0 |
0 |
|
|
439373 |
135229146 |
1 |
ClN2S2O6C21H39 |
AB2C2D6E21F39 |
-224.23 |
8.29 |
-8.39 |
-0.92 |
0 |
|
|
439374 |
135229147 |
1 |
O2N5C13H17 |
A2B5C13D17 |
-17.38 |
3.96 |
-8.64 |
-0.46 |
0 |
|
|
439375 |
135229148 |
1 |
NO3C16H17 |
AB3C16D17 |
-61.35 |
4.99 |
-8.46 |
-0.3 |
0 |
|
|
439376 |
135229149 |
1 |
N2O3C24H34 |
A2B3C24D34 |
-112.22 |
2.18 |
-8.69 |
-0.04 |
0 |
|
|
439377 |
135229150 |
1 |
N6C15H22 |
A6B15C22 |
56.43 |
3.0 |
-8.56 |
-0.6 |
0 |
|
|
439378 |
135229151 |
1 |
O2N5C17H21 |
A2B5C17D21 |
2.83 |
6.99 |
-8.73 |
-0.77 |
0 |
|
|
439379 |
135229152 |
1 |
N8O9C34H48 |
A8B9C34D48 |
-252.25 |
3.64 |
-8.93 |
-1.35 |
0 |
|
|
439380 |
135229153 |
1 |
O3N5C18H25 |
A3B5C18D25 |
-77.26 |
3.82 |
-9.01 |
-0.86 |
0 |
|
|
439381 |
135229154 |
1 |
N3O6C29H43 |
A3B6C29D43 |
-278.66 |
10.03 |
-8.23 |
0.1 |
0 |
|
|
439382 |
135229155 |
1 |
N5C18H27 |
A5B18C27 |
26.23 |
3.68 |
-8.75 |
-0.16 |
0 |
|
|
439383 |
135229156 |
1 |
SN5O10C42H63 |
AB5C10D42E63 |
-472.6 |
6.29 |
-8.99 |
-0.96 |
0 |
|
|
439384 |
135229157 |
1 |
O15N18C44H58 |
A15B18C44D58 |
-529.39 |
13.39 |
-8.93 |
-1.32 |
0 |
|
|
439386 |
135229159 |
1 |
N15O15C42H53 |
A15B15C42D53 |
-534.1 |
9.75 |
-8.88 |
-1.48 |
0 |
|
|
439387 |
135229160 |
1 |
ON4C14H26 |
AB4C14D26 |
-49.3 |
3.47 |
-8.4 |
0.39 |
0 |
|
|
439388 |
135229161 |
1 |
O2N5C20H27 |
A2B5C20D27 |
2.97 |
3.04 |
-8.73 |
-0.59 |
0 |
|
|
439389 |
135229162 |
1 |
O2N5C19H27 |
A2B5C19D27 |
-7.33 |
6.32 |
-8.27 |
-0.15 |
0 |
|
|
439390 |
135229163 |
1 |
O4N5C18H25 |
A4B5C18D25 |
-123.28 |
3.95 |
-9.11 |
-0.97 |
0 |
|
|
439391 |
135229164 |
1 |
SF3N5C16H18 |
AB3C5D16E18 |
-67.38 |
7.28 |
-8.43 |
-1.22 |
0 |
|
|
439392 |
135229166 |
1 |
SO2F3N5C16H18 |
AB2C3D5E16F18 |
-154.7 |
6.38 |
-8.7 |
-1.33 |
0 |
|
|
439393 |
135229167 |
1 |
SO2N4C21H28 |
AB2C4D21E28 |
-9.65 |
8.9 |
-8.27 |
-1.17 |
0 |
|
|
439394 |
135229168 |
1 |
N9O12C36H55 |
A9B12C36D55 |
-429.73 |
9.08 |
-8.93 |
-1.21 |
0 |
|
|
439396 |
135229170 |
1 |
O2N5C13H17 |
A2B5C13D17 |
-15.88 |
3.29 |
-8.98 |
-0.34 |
0 |
|
|
439397 |
135229171 |
1 |
O3N4C23H36 |
A3B4C23D36 |
-112.16 |
4.58 |
-8.38 |
0.07 |
0 |
|
|
439398 |
135229172 |
1 |
ON5C13H13 |
AB5C13D13 |
55.1 |
4.25 |
-9.11 |
-0.7 |
0 |
|
|
439399 |
135229173 |
1 |
OSF3N5C20H22 |
ABC3D5E20F22 |
-108.62 |
9.34 |
-8.53 |
-1.1 |
0 |
|
|
439400 |
135229174 |
1 |
SF3N5C20H22 |
AB3C5D20E22 |
-80.86 |
11.47 |
-8.68 |
-0.91 |
0 |
|
|
439401 |
135229175 |
1 |
ON4C20H28 |
AB4C20D28 |
-3.58 |
5.44 |
-9.09 |
-0.4 |
0 |
|
|
439402 |
135229176 |
2 |
ON2C9H12 |
AB2C9D12 |
-44.53 |
3.4 |
-9.12 |
-0.63 |
0 |
|
|
439403 |
135229177 |
1 |
SN6O12C32H60 |
AB6C12D32E60 |
-420.35 |
1.26 |
-8.85 |
-1.4 |
0 |
|
|
439404 |
135229178 |
1 |
BrOSN2C9H13 |
ABCD2E9F13 |
-18.97 |
7.31 |
-8.86 |
-0.59 |
0 |
|
|
439405 |
135229179 |
1 |
O3N5C19H29 |
A3B5C19D29 |
-69.29 |
4.36 |
-8.37 |
-0.64 |
0 |
|
|
439406 |
135229180 |
1 |
SO2F3N6C16H17 |
AB2C3D6E16F17 |
-119.71 |
10.1 |
-9.69 |
-1.53 |
0 |
|
|
439407 |
135229181 |
1 |
SN2O2C10H14 |
AB2C2D10E14 |
-49.36 |
7.47 |
-8.88 |
-0.48 |
0 |
|
|
439408 |
135229182 |
1 |
SO2F3N5C22H28 |
AB2C3D5E22F28 |
-193.55 |
10.42 |
-9.49 |
-1.16 |
0 |
|
|
439409 |
135229183 |
1 |
SO2N5F6C21H23 |
AB2C5D6E21F23 |
-343.69 |
7.05 |
-9.67 |
-1.28 |
0 |
|
|
439410 |
135229184 |
1 |
O2S2F3N5C17H18 |
A2B2C3D5E17F18 |
-144.76 |
8.53 |
-9.42 |
-1.32 |
0 |
|
|
439411 |
135229185 |
1 |
SO2F3N5C20H24 |
AB2C3D5E20F24 |
-181.28 |
10.53 |
-9.5 |
-1.15 |
0 |
|
|
439412 |
135229186 |
2 |
O3H22C28 |
A3B22C28 |
9.43 |
3.56 |
-8.7 |
-0.24 |
0 |
|
|
439413 |
135229187 |
1 |
SO2F3N5C21H26 |
AB2C3D5E21F26 |
-186.68 |
10.51 |
-9.51 |
-1.12 |
0 |
|
|
439414 |
135229188 |
1 |
SO2N3C14H23 |
AB2C3D14E23 |
-71.37 |
5.29 |
-8.44 |
0.04 |
0 |
|
|
439415 |
135229189 |
4 |
O3H17C20 |
A3B17C20 |
-140.8 |
2.03 |
-8.68 |
-0.47 |
0 |
|
|
439416 |
135229190 |
1 |
SF3N5C17H20 |
AB3C5D17E20 |
-34.69 |
5.97 |
-8.8 |
-0.64 |
0 |
|
|
439417 |
135229191 |
1 |
F3N3C8H8 |
A3B3C8D8 |
-110.46 |
4.51 |
-8.9 |
-1.12 |
0 |
|
|
439418 |
135229192 |
1 |
NO3H13C14 |
AB3C13D14 |
-55.08 |
2.59 |
-8.8 |
-0.64 |
0 |
|
|
439419 |
135229193 |
1 |
N5O5H39C43 |
A5B5C39D43 |
-51.87 |
4.91 |
-8.45 |
-0.82 |
0 |
|
|
439420 |
135229194 |
2 |
O3H20C24 |
A3B20C24 |
-57.16 |
1.96 |
-8.82 |
-0.47 |
0 |
|
|
439421 |
135229195 |
1 |
ClS2N5O9C54H60 |
AB2C5D9E54F60 |
-204.26 |
7.66 |
-8.32 |
-1.13 |
0 |
|
|
439422 |
135229196 |
1 |
N2O3C17H18 |
A2B3C17D18 |
-76.21 |
1.59 |
-8.29 |
-0.15 |
0 |
|
|
439423 |
135229197 |
1 |
N5O8C40H67 |
A5B8C40D67 |
-401.31 |
7.47 |
-9.07 |
0.22 |
0 |
|
|
439424 |
135229198 |
1 |
F3N9O14C49H64 |
A3B9C14D49E64 |
-501.94 |
3.13 |
-9.75 |
-1.53 |
0 |
|
|
439426 |
135229200 |
1 |
N9O12C47H71 |
A9B12C47D71 |
-347.86 |
1.26 |
-8.95 |
-1.28 |
0 |
|
|
439428 |
135229202 |
1 |
N2O3C22H32 |
A2B3C22D32 |
-128.15 |
2.66 |
-8.43 |
-0.12 |
0 |
|
|
439430 |
135229204 |
1 |
N7O11C55H57 |
A7B11C55D57 |
-226.8 |
3.03 |
-8.52 |
-0.91 |
0 |
|
|
439432 |
135229206 |
4 |
ON2C6H8 |
AB2C6D8 |
-99.5 |
5.82 |
-8.94 |
-1.37 |
0 |
|
|
439433 |
135229207 |
1 |
N6H28C43 |
A6B28C43 |
266.7 |
4.3 |
-8.51 |
-1.06 |
0 |
|
|
439434 |
135229208 |
1 |
NO9C25H39 |
AB9C25D39 |
-245.23 |
2.17 |
-9.5 |
0.69 |
0 |
|
|
439435 |
135229209 |
2 |
N7O9C21H25 |
A7B9C21D25 |
-654.56 |
18.6 |
-9.69 |
-1.57 |
0 |
|
|
439436 |
135229210 |
1 |
N2O3C21H30 |
A2B3C21D30 |
-105.41 |
2.17 |
-8.21 |
0.38 |
0 |
|
|
439437 |
135229211 |
1 |
N4O5C33H56 |
A4B5C33D56 |
-278.18 |
6.21 |
-8.94 |
0.44 |
0 |
|
|
439438 |
135229212 |
1 |
N2O2C11H16 |
A2B2C11D16 |
-55.52 |
4.97 |
-9.06 |
0.24 |
0 |
|
|
439439 |
135229213 |
1 |
N4O4H32C45 |
A4B4C32D45 |
60.77 |
12.33 |
-8.88 |
-1.35 |
0 |
|
|
439440 |
135229214 |
2 |
N3H17C22 |
A3B17C22 |
202.5 |
3.48 |
-7.63 |
-0.97 |
0 |
|
|
439441 |
135229215 |
6 |
NH5C7 |
AB5C7 |
216.36 |
3.67 |
-8.1 |
-0.94 |
0 |
|
|
439442 |
135229216 |
1 |
N7H33C49 |
A7B33C49 |
283.7 |
1.51 |
-8.35 |
-1.12 |
0 |