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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
367292 |
127324071 |
2 |
ON2C8H13 |
AB2C8D13 |
-65.33 |
2.41 |
-9.03 |
0.27 |
0 |
|
|
367293 |
127324072 |
1 |
O2N4C19H32 |
A2B4C19D32 |
-95.36 |
3.46 |
-8.79 |
0.35 |
0 |
|
|
367294 |
127324073 |
1 |
FO3N5C19H24 |
AB3C5D19E24 |
-124.39 |
2.84 |
-9.26 |
-0.56 |
0 |
|
|
367295 |
127324074 |
1 |
FN3O3C18H24 |
AB3C3D18E24 |
-140.69 |
3.51 |
-9.04 |
-0.4 |
0 |
|
|
367296 |
127324075 |
1 |
SN3O4C14H25 |
AB3C4D14E25 |
-200.35 |
8.9 |
-9.71 |
0.61 |
0 |
|
|
367297 |
127324076 |
1 |
O2N5C18H23 |
A2B5C18D23 |
-34.54 |
2.18 |
-8.78 |
0.26 |
0 |
|
|
367298 |
127324077 |
1 |
N3O3C21H23 |
A3B3C21D23 |
-66.59 |
6.92 |
-8.69 |
-0.11 |
0 |
|
|
367299 |
127324078 |
1 |
O2N3C17H23 |
A2B3C17D23 |
-49.48 |
4.47 |
-8.7 |
0.32 |
0 |
|
|
367300 |
127324079 |
1 |
ON5C14H23 |
AB5C14D23 |
-12.11 |
3.62 |
-9.52 |
0.52 |
0 |
|
|
367301 |
127324080 |
1 |
O2N3C17H23 |
A2B3C17D23 |
-59.72 |
6.72 |
-9.45 |
0.05 |
0 |
|
|
367302 |
127324081 |
1 |
ON8C18H26 |
AB8C18D26 |
21.96 |
1.01 |
-9.0 |
-0.28 |
0 |
|
|
367303 |
127324082 |
1 |
ON6C17H26 |
AB6C17D26 |
5.5 |
3.77 |
-8.76 |
-0.08 |
0 |
|
|
367304 |
127324083 |
1 |
ON3C15H27 |
AB3C15D27 |
-69.16 |
3.25 |
-8.71 |
1.36 |
0 |
|
|
367305 |
127324084 |
1 |
O2N5C19H31 |
A2B5C19D31 |
-73.96 |
2.5 |
-8.7 |
0.28 |
0 |
|
|
367306 |
127324085 |
2 |
ON2C10H14 |
AB2C10D14 |
-74.0 |
3.54 |
-8.77 |
-0.09 |
0 |
|
|
367307 |
127324086 |
1 |
ON3C13H23 |
AB3C13D23 |
-37.49 |
3.1 |
-8.71 |
1.27 |
0 |
|
|
367308 |
127324087 |
1 |
O2N3C18H27 |
A2B3C18D27 |
-60.93 |
1.06 |
-9.08 |
0.21 |
0 |
|
|
367309 |
127324088 |
1 |
SO3N4C19H28 |
AB3C4D19E28 |
-85.39 |
4.68 |
-9.07 |
-0.89 |
0 |
|
|
367310 |
127324089 |
1 |
ON5C18H29 |
AB5C18D29 |
-28.84 |
3.65 |
-9.51 |
0.53 |
0 |
|
|
367311 |
127324090 |
1 |
ON7C13H19 |
AB7C13D19 |
31.45 |
4.08 |
-9.65 |
0.11 |
0 |
|
|
367312 |
127324091 |
1 |
ON8C16H24 |
AB8C16D24 |
22.46 |
5.2 |
-9.54 |
0.01 |
0 |
|
|
367313 |
127324092 |
1 |
ON6C15H24 |
AB6C15D24 |
7.89 |
5.33 |
-9.09 |
0.12 |
0 |
|
|
367314 |
127324093 |
1 |
OSN6C13H18 |
ABC6D13E18 |
21.36 |
3.45 |
-9.54 |
-0.81 |
0 |
|
|
367315 |
127324099 |
1 |
ON5C19H29 |
AB5C19D29 |
-6.55 |
2.97 |
-9.01 |
-0.09 |
0 |
|
|
367316 |
127324100 |
1 |
O2N7C18H29 |
A2B7C18D29 |
-56.18 |
7.27 |
-8.31 |
0.04 |
0 |
|
|
367317 |
127324101 |
1 |
ON7C18H29 |
AB7C18D29 |
14.59 |
2.35 |
-8.51 |
-0.05 |
0 |
|
|
367318 |
127324125 |
1 |
N3O3C16H21 |
A3B3C16D21 |
-70.17 |
2.12 |
-9.0 |
-0.39 |
0 |
|
|
367319 |
127324126 |
2 |
ON2C11H17 |
AB2C11D17 |
-87.8 |
2.95 |
-8.63 |
-0.26 |
0 |
|
|
367320 |
127324135 |
1 |
SO2N5C15H25 |
AB2C5D15E25 |
-48.62 |
2.37 |
-8.93 |
0.21 |
0 |
|
|
367321 |
127324136 |
1 |
SO2N6C18H30 |
AB2C6D18E30 |
-56.06 |
2.42 |
-8.76 |
0.37 |
0 |
|
|
367322 |
127324137 |
1 |
ON6C21H30 |
AB6C21D30 |
0.24 |
2.44 |
-9.01 |
0.37 |
0 |
|
|
367323 |
127324138 |
1 |
FO2N5C19H24 |
AB2C5D19E24 |
-84.91 |
3.76 |
-9.55 |
-0.52 |
0 |
|
|
367324 |
127324145 |
1 |
O2N4C21H32 |
A2B4C21D32 |
-88.12 |
6.39 |
-8.7 |
-0.01 |
0 |
|
|
367325 |
127324146 |
1 |
ClO2N5C18H22 |
AB2C5D18E22 |
-43.71 |
2.27 |
-9.13 |
-0.49 |
0 |
|
|
367326 |
127324147 |
1 |
ClO2N3C17H22 |
AB2C3D17E22 |
-58.74 |
2.49 |
-9.03 |
-0.36 |
0 |
|
|
367327 |
127324187 |
1 |
O2N5C14H23 |
A2B5C14D23 |
-70.91 |
1.13 |
-9.63 |
0.28 |
0 |
|
|
367328 |
127324188 |
2 |
ON2C8H14 |
AB2C8D14 |
-98.76 |
3.33 |
-9.14 |
0.54 |
0 |
|
|
367329 |
127324218 |
1 |
O2N4C13H22 |
A2B4C13D22 |
-79.67 |
2.93 |
-8.98 |
0.68 |
0 |
|
|
367330 |
127324219 |
1 |
ON8C19H26 |
AB8C19D26 |
41.71 |
4.55 |
-9.23 |
-0.77 |
0 |
|
|
367331 |
127324220 |
1 |
ON6C18H26 |
AB6C18D26 |
26.3 |
4.31 |
-9.11 |
-0.66 |
0 |
|
|
367332 |
127324221 |
1 |
SO2N4C19H32 |
AB2C4D19E32 |
-95.91 |
2.13 |
-8.84 |
0.43 |
0 |
|
|
367333 |
127324222 |
1 |
ON6C12H20 |
AB6C12D20 |
22.65 |
5.13 |
-9.15 |
0.13 |
0 |
|
|
367334 |
127324223 |
1 |
OF2N5C13H19 |
AB2C5D13E19 |
-94.48 |
2.96 |
-8.93 |
-0.08 |
0 |
|
|
367335 |
127324224 |
1 |
O2N3C19H27 |
A2B3C19D27 |
-57.64 |
0.83 |
-9.04 |
0.2 |
0 |
|
|
367336 |
127324225 |
1 |
O2N7C19H29 |
A2B7C19D29 |
-31.1 |
3.2 |
-8.87 |
-0.26 |
0 |
|
|
367337 |
127324226 |
1 |
N3O3C19H27 |
A3B3C19D27 |
-129.75 |
4.03 |
-9.27 |
-0.02 |
0 |
|
|
367338 |
127324227 |
1 |
OSN4C16H26 |
ABC4D16E26 |
-20.09 |
3.42 |
-8.95 |
-0.5 |
0 |
|
|
367339 |
127324233 |
2 |
ON2C10H15 |
AB2C10D15 |
-52.36 |
2.15 |
-8.2 |
0.56 |
0 |
|
|
367340 |
127324234 |
1 |
ON5C18H23 |
AB5C18D23 |
26.29 |
2.1 |
-9.58 |
0.01 |
0 |
|
|
367341 |
127324235 |
1 |
ON6C14H20 |
AB6C14D20 |
18.69 |
8.19 |
-9.08 |
0.61 |
0 |
|
|
367342 |
127324236 |
1 |
ON7C17H25 |
AB7C17D25 |
2.66 |
5.95 |
-9.12 |
0.56 |
0 |
|
|
367343 |
127324237 |
1 |
ON5C16H25 |
AB5C16D25 |
-10.82 |
7.01 |
-8.78 |
0.69 |
0 |
|
|
367344 |
127324296 |
1 |
O2N5C19H31 |
A2B5C19D31 |
-100.53 |
2.84 |
-8.74 |
0.57 |
0 |
|
|
367345 |
127324297 |
1 |
ON4C16H26 |
AB4C16D26 |
-25.48 |
2.13 |
-8.77 |
0.84 |
0 |
|
|
367346 |
127324298 |
1 |
FON5C20H26 |
ABC5D20E26 |
-25.01 |
6.6 |
-8.66 |
-0.67 |
0 |
|
|
367347 |
127324299 |
2 |
ON2C9H12 |
AB2C9D12 |
-44.54 |
1.42 |
-8.86 |
-0.11 |
0 |
|
|
367348 |
127324300 |
1 |
O2N5C17H31 |
A2B5C17D31 |
-83.43 |
4.66 |
-8.98 |
0.99 |
0 |
|
|
367349 |
127324301 |
1 |
O3N4C20H30 |
A3B4C20D30 |
-112.77 |
4.8 |
-8.95 |
-0.3 |
0 |
|
|
367350 |
127324302 |
1 |
ClO2N4C18H23 |
AB2C4D18E23 |
-51.13 |
1.62 |
-9.06 |
-0.4 |
0 |
|
|
367351 |
127324303 |
1 |
O2N3C22H25 |
A2B3C22D25 |
-51.33 |
5.59 |
-9.31 |
0.02 |
0 |
|
|
367352 |
127324304 |
2 |
ON2C10H15 |
AB2C10D15 |
-82.27 |
3.43 |
-8.7 |
-0.26 |
0 |
|
|
367353 |
127324305 |
2 |
ON3C9H16 |
AB3C9D16 |
-62.13 |
1.92 |
-8.62 |
0.34 |
0 |
|
|
367354 |
127324306 |
1 |
O2N5C15H29 |
A2B5C15D29 |
-99.27 |
8.48 |
-8.23 |
0.77 |
0 |
|
|
367355 |
127324307 |
1 |
O2N5C19H29 |
A2B5C19D29 |
-60.35 |
6.57 |
-8.57 |
0.2 |
0 |
|
|
367356 |
127324308 |
1 |
OSN4C15H24 |
ABC4D15E24 |
-15.65 |
3.54 |
-8.91 |
-0.55 |
0 |
|
|
367357 |
127324309 |
1 |
O2N4C21H28 |
A2B4C21D28 |
-32.75 |
3.98 |
-8.97 |
-0.64 |
0 |
|
|
367358 |
127324310 |
1 |
O2N3C22H25 |
A2B3C22D25 |
-51.26 |
6.96 |
-9.48 |
-0.01 |
0 |
|
|
367359 |
127324311 |
1 |
O2N5C20H33 |
A2B5C20D33 |
-60.56 |
3.81 |
-8.92 |
0.32 |
0 |
|
|
367360 |
127324312 |
1 |
O2N4C17H24 |
A2B4C17D24 |
-56.45 |
3.41 |
-8.72 |
0.05 |
0 |
|
|
367361 |
127324313 |
1 |
O2F3N4C14H21 |
A2B3C4D14E21 |
-233.83 |
3.27 |
-9.08 |
0.22 |
0 |
|
|
367362 |
127324314 |
1 |
O2N4C17H28 |
A2B4C17D28 |
-66.96 |
1.49 |
-9.05 |
0.27 |
0 |
|
|
367363 |
127324315 |
1 |
O2N3C18H25 |
A2B3C18D25 |
-67.06 |
6.96 |
-9.42 |
0.08 |
0 |
|
|
367364 |
127324316 |
1 |
ON8C20H30 |
AB8C20D30 |
2.86 |
2.67 |
-9.0 |
-0.12 |
0 |
|
|
367365 |
127324317 |
1 |
ON6C19H30 |
AB6C19D30 |
-11.77 |
3.92 |
-8.88 |
-0.05 |
0 |
|
|
367366 |
127324318 |
1 |
O2N4C11H18 |
A2B4C11D18 |
-36.55 |
4.23 |
-9.44 |
0.62 |
0 |
|
|
367367 |
127324319 |
1 |
N3O3C13H23 |
A3B3C13D23 |
-138.84 |
5.05 |
-9.41 |
0.8 |
0 |
|
|
367368 |
127324320 |
1 |
O2N3C13H23 |
A2B3C13D23 |
-65.82 |
0.94 |
-8.99 |
1.06 |
0 |
|
|
367369 |
127324321 |
1 |
O2N4C19H32 |
A2B4C19D32 |
-96.58 |
4.43 |
-8.71 |
0.24 |
0 |
|
|
367370 |
127324322 |
1 |
O3N4C17H28 |
A3B4C17D28 |
-119.76 |
2.07 |
-9.11 |
0.23 |
0 |
|
|
367371 |
127324323 |
1 |
N3O3C18H25 |
A3B3C18D25 |
-119.54 |
2.07 |
-9.53 |
-0.31 |
0 |
|
|
367372 |
127324324 |
1 |
O2N3C14H25 |
A2B3C14D25 |
-89.22 |
1.98 |
-8.93 |
1.21 |
0 |
|
|
367373 |
127324325 |
1 |
SO2N4C17H28 |
AB2C4D17E28 |
-74.72 |
4.05 |
-8.51 |
0.16 |
0 |
|
|
367374 |
127324326 |
1 |
O3N4C19H28 |
A3B4C19D28 |
-93.8 |
1.28 |
-9.05 |
-0.32 |
0 |
|
|
367375 |
127324327 |
1 |
O2N4C17H30 |
A2B4C17D30 |
-87.92 |
2.04 |
-8.92 |
0.95 |
0 |
|
|
367376 |
127324328 |
1 |
O2N3C21H33 |
A2B3C21D33 |
-84.07 |
3.03 |
-8.97 |
0.42 |
0 |
|
|
367377 |
127324329 |
1 |
O3N4C14H22 |
A3B4C14D22 |
-123.89 |
4.19 |
-8.93 |
-0.36 |
0 |
|
|
367378 |
127324330 |
1 |
ON5C20H27 |
AB5C20D27 |
-1.99 |
2.73 |
-9.49 |
0.26 |
0 |
|
|
367379 |
127324331 |
1 |
ON5C21H29 |
AB5C21D29 |
-8.77 |
3.77 |
-9.45 |
0.17 |
0 |
|
|
367380 |
127324332 |
2 |
ON2C9H15 |
AB2C9D15 |
-89.28 |
2.33 |
-9.01 |
0.29 |
0 |
|
|
367381 |
127324386 |
1 |
O3N4C17H20 |
A3B4C17D20 |
-45.34 |
4.52 |
-8.73 |
-0.02 |
0 |
|
|
367382 |
127324387 |
2 |
ON2C8H13 |
AB2C8D13 |
-68.91 |
4.3 |
-9.41 |
0.7 |
0 |
|
|
367383 |
127324388 |
1 |
SO2N5C16H21 |
AB2C5D16E21 |
-13.27 |
5.4 |
-9.2 |
-0.28 |
0 |
|
|
367384 |
127324389 |
1 |
O2N6C19H32 |
A2B6C19D32 |
-65.89 |
5.13 |
-9.06 |
0.66 |
0 |
|
|
367385 |
127324394 |
1 |
OSN6C15H22 |
ABC6D15E22 |
27.01 |
4.46 |
-9.06 |
-0.44 |
0 |
|
|
367386 |
127324395 |
1 |
ON6C15H22 |
AB6C15D22 |
28.69 |
3.15 |
-9.2 |
0.53 |
0 |
|
|
367387 |
127324396 |
1 |
ON5C13H21 |
AB5C13D21 |
13.22 |
2.64 |
-9.14 |
0.55 |
0 |
|
|
367388 |
127324397 |
2 |
ON3C9H15 |
AB3C9D15 |
-56.77 |
4.51 |
-9.06 |
0.58 |
0 |
|
|
367389 |
127324417 |
1 |
O2N5C16H25 |
A2B5C16D25 |
-18.55 |
2.42 |
-8.99 |
-0.3 |
0 |
|
|
367390 |
127324418 |
1 |
O2N4C21H30 |
A2B4C21D30 |
-56.01 |
4.87 |
-9.08 |
0.19 |
0 |
|
|
367391 |
127324419 |
1 |
ON3C13H23 |
AB3C13D23 |
-42.39 |
2.72 |
-8.95 |
1.21 |
0 |