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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
428166 |
135166310 |
1 |
SN2H42C67 |
AB2C42D67 |
295.56 |
1.54 |
-8.07 |
-0.64 |
0 |
|
|
428167 |
135166311 |
1 |
N3H47C73 |
A3B47C73 |
327.06 |
2.51 |
-8.1 |
-0.56 |
0 |
|
|
428168 |
135166312 |
1 |
ON2H42C67 |
AB2C42D67 |
269.96 |
2.05 |
-8.03 |
-0.65 |
0 |
|
|
428169 |
135166313 |
1 |
ON2H42C67 |
AB2C42D67 |
269.51 |
1.56 |
-8.06 |
-0.65 |
0 |
|
|
428170 |
135166314 |
1 |
ON2H42C67 |
AB2C42D67 |
270.28 |
1.57 |
-8.06 |
-0.53 |
0 |
|
|
428171 |
135166315 |
2 |
NH22C32 |
AB22C32 |
260.26 |
1.1 |
-8.06 |
-0.52 |
0 |
|
|
428172 |
135166316 |
1 |
N2H38C59 |
A2B38C59 |
261.64 |
1.5 |
-8.05 |
-0.51 |
0 |
|
|
428173 |
135166320 |
1 |
N2H40C61 |
A2B40C61 |
267.93 |
1.37 |
-8.01 |
-0.48 |
0 |
|
|
428174 |
135166380 |
1 |
ON2H44C71 |
AB2C44D71 |
324.01 |
1.13 |
-8.05 |
-0.75 |
0 |
|
|
428175 |
135166381 |
1 |
ON2H44C71 |
AB2C44D71 |
425.56 |
5.25 |
-7.15 |
-1.39 |
0 |
|
|
428176 |
135166382 |
1 |
SN2H44C71 |
AB2C44D71 |
362.23 |
3.76 |
-8.07 |
-1.24 |
0 |
|
|
428177 |
135166383 |
1 |
N3H49C77 |
A3B49C77 |
402.98 |
1.02 |
-8.0 |
-1.11 |
0 |
|
|
428178 |
135166384 |
1 |
ON2H44C71 |
AB2C44D71 |
323.7 |
1.37 |
-8.06 |
-0.77 |
0 |
|
|
428179 |
135166385 |
1 |
N3H49C77 |
A3B49C77 |
350.1 |
2.76 |
-8.03 |
-0.48 |
0 |
|
|
428180 |
135166386 |
1 |
N3H49C77 |
A3B49C77 |
348.52 |
2.73 |
-8.06 |
-0.63 |
0 |
|
|
428181 |
135166387 |
1 |
SN2H44C71 |
AB2C44D71 |
352.98 |
1.38 |
-8.05 |
-0.76 |
0 |
|
|
428182 |
135166388 |
1 |
N3H45C71 |
A3B45C71 |
331.17 |
4.51 |
-7.95 |
-0.67 |
0 |
|
|
428183 |
135166389 |
1 |
ON2H44C71 |
AB2C44D71 |
423.75 |
4.61 |
-8.16 |
-0.99 |
0 |
|
|
428184 |
135166390 |
1 |
ON2H44C71 |
AB2C44D71 |
333.26 |
2.56 |
-8.08 |
-1.2 |
0 |
|
|
428185 |
135166391 |
1 |
N3H49C77 |
A3B49C77 |
351.28 |
1.74 |
-8.06 |
-0.53 |
0 |
|
|
428186 |
135166408 |
2 |
NH24C39 |
AB24C39 |
357.02 |
0.53 |
-8.08 |
-0.54 |
0 |
|
|
428187 |
135166410 |
2 |
NH23C34 |
AB23C34 |
280.11 |
1.27 |
-8.02 |
-0.48 |
0 |
|
|
428188 |
135166426 |
1 |
N3H47C73 |
A3B47C73 |
326.36 |
2.29 |
-8.06 |
-0.6 |
0 |
|
|
428189 |
135166427 |
1 |
ON2H42C67 |
AB2C42D67 |
267.2 |
2.25 |
-7.93 |
-0.75 |
0 |
|
|
428190 |
135166428 |
1 |
SN2H42C67 |
AB2C42D67 |
295.05 |
2.32 |
-8.01 |
-0.62 |
0 |
|
|
428191 |
135166429 |
1 |
ON2H42C67 |
AB2C42D67 |
266.52 |
2.05 |
-7.89 |
-0.58 |
0 |
|
|
428192 |
135166430 |
1 |
ON2H42C67 |
AB2C42D67 |
266.15 |
1.51 |
-8.04 |
-0.58 |
0 |
|
|
428193 |
135166431 |
1 |
ON2H42C67 |
AB2C42D67 |
293.05 |
1.95 |
-7.84 |
-0.58 |
0 |
|
|
428194 |
135166432 |
1 |
N3H47C73 |
A3B47C73 |
327.58 |
1.14 |
-8.11 |
-0.62 |
0 |
|
|
428195 |
135166433 |
2 |
NH22C32 |
AB22C32 |
255.67 |
1.38 |
-7.83 |
-0.54 |
0 |
|
|
428196 |
135166434 |
1 |
N2H38C59 |
A2B38C59 |
259.92 |
1.4 |
-7.85 |
-0.49 |
0 |
|
|
428197 |
135166435 |
1 |
N2H40C61 |
A2B40C61 |
269.2 |
2.01 |
-7.94 |
-0.44 |
0 |
|
|
428198 |
135166436 |
1 |
N2H36C55 |
A2B36C55 |
244.6 |
1.89 |
-7.89 |
-0.46 |
0 |
|
|
428199 |
135166437 |
1 |
N2H38C59 |
A2B38C59 |
268.32 |
0.66 |
-8.05 |
-0.51 |
0 |
|
|
428200 |
135166438 |
1 |
N2H40C61 |
A2B40C61 |
268.58 |
1.92 |
-7.9 |
-0.47 |
0 |
|
|
428201 |
135166455 |
2 |
NH24C37 |
AB24C37 |
325.01 |
1.01 |
-7.82 |
-0.52 |
0 |
|
|
428202 |
135166456 |
2 |
NH22C32 |
AB22C32 |
258.81 |
2.1 |
-8.06 |
-0.52 |
0 |
|
|
428203 |
135166504 |
1 |
N3H47C73 |
A3B47C73 |
328.92 |
4.27 |
-7.94 |
-0.66 |
0 |
|
|
428204 |
135166511 |
1 |
ClSO3C23H29 |
ABC3D23E29 |
-34.67 |
4.14 |
-7.18 |
-0.15 |
0 |
|
|
428205 |
135166512 |
1 |
ON2H42C67 |
AB2C42D67 |
270.48 |
1.42 |
-7.85 |
-0.57 |
0 |
|
|
428206 |
135166513 |
1 |
N2H40C61 |
A2B40C61 |
271.93 |
0.91 |
-7.93 |
-0.45 |
0 |
|
|
428207 |
135166514 |
1 |
N2H38C59 |
A2B38C59 |
262.0 |
0.95 |
-7.99 |
-0.52 |
0 |
|
|
428208 |
135166515 |
2 |
NH22C32 |
AB22C32 |
257.86 |
0.97 |
-7.9 |
-0.48 |
0 |
|
|
428209 |
135166516 |
1 |
N2H40C61 |
A2B40C61 |
269.3 |
1.58 |
-8.06 |
-0.53 |
0 |
|
|
428210 |
135166517 |
1 |
N2H36C55 |
A2B36C55 |
244.9 |
1.85 |
-7.94 |
-0.47 |
0 |
|
|
428211 |
135166518 |
1 |
N2H42C65 |
A2B42C65 |
286.09 |
2.07 |
-8.01 |
-0.48 |
0 |
|
|
428212 |
135166519 |
1 |
N2H44C67 |
A2B44C67 |
293.8 |
1.23 |
-8.0 |
-0.49 |
0 |
|
|
428213 |
135166520 |
1 |
N2H42C67 |
A2B42C67 |
293.41 |
2.65 |
-7.92 |
-0.67 |
0 |
|
|
428214 |
135166521 |
1 |
N2H38C59 |
A2B38C59 |
332.68 |
1.05 |
-7.76 |
-0.95 |
0 |
|
|
428215 |
135166522 |
1 |
N2H40C63 |
A2B40C63 |
279.0 |
0.62 |
-8.0 |
-0.58 |
0 |
|
|
428216 |
135166523 |
2 |
NH23C37 |
AB23C37 |
330.27 |
0.68 |
-7.83 |
-0.49 |
0 |
|
|
428217 |
135166524 |
1 |
N2H44C67 |
A2B44C67 |
292.39 |
1.84 |
-7.88 |
-0.47 |
0 |
|
|
428218 |
135166532 |
2 |
NH24C37 |
AB24C37 |
328.21 |
0.46 |
-8.05 |
-0.52 |
0 |
|
|
428219 |
135166551 |
2 |
NH23C34 |
AB23C34 |
274.74 |
1.37 |
-7.91 |
-0.54 |
0 |
|
|
428220 |
135166552 |
1 |
N2H40C63 |
A2B40C63 |
283.7 |
1.34 |
-8.0 |
-0.55 |
0 |
|
|
428221 |
135166553 |
1 |
N2H42C65 |
A2B42C65 |
323.91 |
2.18 |
-7.87 |
-0.43 |
0 |
|
|
428222 |
135166554 |
1 |
N2H42C65 |
A2B42C65 |
287.02 |
1.72 |
-8.11 |
-0.59 |
0 |
|
|
428223 |
135166555 |
1 |
N2H42C65 |
A2B42C65 |
286.25 |
0.6 |
-8.06 |
-0.53 |
0 |
|
|
428224 |
135166556 |
1 |
ON2H44C71 |
AB2C44D71 |
284.8 |
0.91 |
-7.96 |
-0.6 |
0 |
|
|
428225 |
135166557 |
1 |
N2H46C71 |
A2B46C71 |
346.8 |
2.48 |
-7.84 |
-0.49 |
0 |
|
|
428226 |
135166558 |
1 |
N2H44C71 |
A2B44C71 |
307.22 |
1.69 |
-7.95 |
-0.57 |
0 |
|
|
428227 |
135166559 |
1 |
N2H42C67 |
A2B42C67 |
292.77 |
1.48 |
-7.98 |
-0.61 |
0 |
|
|
428228 |
135166560 |
1 |
N2H42C67 |
A2B42C67 |
295.0 |
1.27 |
-8.03 |
-0.7 |
0 |
|
|
428229 |
135166561 |
1 |
N2H38C59 |
A2B38C59 |
264.02 |
1.39 |
-8.09 |
-0.56 |
0 |
|
|
428230 |
135166562 |
1 |
N2H40C63 |
A2B40C63 |
280.48 |
1.33 |
-8.02 |
-0.59 |
0 |
|
|
428231 |
135166566 |
2 |
NH25C39 |
AB25C39 |
343.83 |
1.23 |
-7.94 |
-0.54 |
0 |
|
|
428232 |
135166580 |
1 |
SN2H44C67 |
AB2C44D67 |
365.26 |
2.12 |
-8.07 |
-0.88 |
0 |
|
|
428233 |
135166588 |
1 |
ON2H44C67 |
AB2C44D67 |
261.3 |
0.93 |
-7.88 |
-0.55 |
0 |
|
|
428234 |
135166608 |
2 |
NH23C32 |
AB23C32 |
343.75 |
11.5 |
-6.3 |
-2.55 |
0 |
|
|
428235 |
135166633 |
1 |
N3H45C67 |
A3B45C67 |
300.35 |
0.42 |
-7.85 |
-0.45 |
0 |
|
|
428236 |
135166634 |
1 |
N2H46C67 |
A2B46C67 |
289.79 |
1.2 |
-7.88 |
-0.36 |
0 |
|
|
428237 |
135166635 |
1 |
N2H42C61 |
A2B42C61 |
262.69 |
2.04 |
-7.95 |
-0.42 |
0 |
|
|
428238 |
135166636 |
1 |
N2H44C65 |
A2B44C65 |
283.63 |
2.95 |
-7.98 |
-0.47 |
0 |
|
|
428239 |
135166637 |
1 |
N2H38C55 |
A2B38C55 |
239.91 |
2.19 |
-7.84 |
-0.29 |
0 |
|
|
428240 |
135166638 |
1 |
N2H42C63 |
A2B42C63 |
322.94 |
2.32 |
-8.09 |
-0.92 |
0 |
|
|
428241 |
135166639 |
1 |
N2H44C67 |
A2B44C67 |
335.2 |
2.62 |
-7.96 |
-0.87 |
0 |
|
|
428242 |
135166640 |
1 |
N2H42C61 |
A2B42C61 |
267.43 |
0.83 |
-7.86 |
-0.28 |
0 |
|
|
428243 |
135166655 |
1 |
ON2H40C61 |
AB2C40D61 |
243.43 |
1.67 |
-7.97 |
-0.74 |
0 |
|
|
428244 |
135166658 |
1 |
ON2H44C67 |
AB2C44D67 |
323.37 |
2.6 |
-8.04 |
-0.62 |
0 |
|
|
428245 |
135166665 |
1 |
N3H49C73 |
A3B49C73 |
425.25 |
4.29 |
-7.64 |
-1.62 |
0 |
|
|
428246 |
135166671 |
1 |
N2H42C61 |
A2B42C61 |
265.07 |
1.6 |
-7.93 |
-0.33 |
0 |
|
|
428247 |
135166672 |
1 |
ON2H44C67 |
AB2C44D67 |
371.38 |
5.66 |
-6.93 |
-1.55 |
0 |
|
|
428248 |
135166673 |
1 |
N2H38C55 |
A2B38C55 |
310.98 |
1.44 |
-7.99 |
-0.81 |
0 |
|
|
428249 |
135166674 |
1 |
N2H42C61 |
A2B42C61 |
268.12 |
0.81 |
-7.84 |
-0.21 |
0 |
|
|
428250 |
135166675 |
1 |
N2H46C67 |
A2B46C67 |
290.8 |
1.15 |
-7.88 |
-0.3 |
0 |
|
|
428251 |
135166676 |
1 |
ON2H44C67 |
AB2C44D67 |
267.93 |
1.23 |
-7.78 |
-0.57 |
0 |
|
|
428252 |
135166677 |
1 |
N2H44C65 |
A2B44C65 |
382.35 |
3.1 |
-7.46 |
-1.38 |
0 |
|
|
428253 |
135166678 |
1 |
N2H42C61 |
A2B42C61 |
264.43 |
1.68 |
-7.89 |
-0.3 |
0 |
|
|
428254 |
135166679 |
1 |
N2H40C59 |
A2B40C59 |
330.7 |
3.57 |
-7.76 |
-1.01 |
0 |
|
|
428255 |
135166680 |
1 |
N2H42C63 |
A2B42C63 |
351.84 |
1.49 |
-6.93 |
-2.24 |
0 |
|
|
428256 |
135166681 |
1 |
N2H42C63 |
A2B42C63 |
277.26 |
1.42 |
-8.1 |
-0.6 |
0 |
|
|
428257 |
135166682 |
1 |
N2H44C67 |
A2B44C67 |
341.8 |
1.45 |
-8.38 |
-0.89 |
0 |
|
|
428258 |
135166683 |
1 |
N2H46C67 |
A2B46C67 |
338.77 |
2.39 |
-7.96 |
-0.86 |
0 |
|
|
428259 |
135166684 |
2 |
NH24C37 |
AB24C37 |
380.6 |
2.25 |
-8.15 |
-0.88 |
0 |
|
|
428260 |
135166685 |
2 |
NH25C37 |
AB25C37 |
377.83 |
1.49 |
-8.26 |
-0.87 |
0 |
|
|
428261 |
135166686 |
2 |
NH24C37 |
AB24C37 |
380.85 |
10.22 |
-6.71 |
-1.8 |
0 |
|
|
428262 |
135166704 |
1 |
SN2H46C71 |
AB2C46D71 |
308.8 |
2.42 |
-7.97 |
-0.64 |
0 |
|
|
428263 |
135166705 |
1 |
ON2H46C71 |
AB2C46D71 |
287.32 |
0.62 |
-7.96 |
-0.55 |
0 |
|
|
428264 |
135166748 |
1 |
N2H42C61 |
A2B42C61 |
270.53 |
1.42 |
-8.22 |
-0.38 |
0 |
|
|
428265 |
135166749 |
1 |
N2H42C61 |
A2B42C61 |
265.24 |
1.91 |
-8.14 |
-0.36 |
0 |