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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
150483 |
53790174 |
1 |
OCl2N3C14H15 |
AB2C3D14E15 |
15.05 |
1.92 |
-9.85 |
-0.75 |
0 |
|
|
150484 |
53790175 |
1 |
SO2N4C18H18 |
AB2C4D18E18 |
2.55 |
4.83 |
-8.54 |
-0.67 |
0 |
|
|
150485 |
53790177 |
2 |
N3H8C11 |
A3B8C11 |
187.16 |
0.24 |
-9.18 |
-1.16 |
0 |
|
|
150486 |
53790178 |
1 |
ClN4C22H27 |
AB4C22D27 |
64.81 |
1.25 |
-8.86 |
-0.77 |
0 |
|
|
150487 |
53790179 |
1 |
N4H6C7 |
A4B6C7 |
73.49 |
6.55 |
-9.46 |
-1.13 |
0 |
|
|
150488 |
53790180 |
1 |
O3N7C31H33 |
A3B7C31D33 |
19.41 |
2.9 |
-8.41 |
-0.86 |
0 |
|
|
150489 |
53790181 |
1 |
ClSN3O3C17H18 |
ABC3D3E17F18 |
-81.51 |
9.06 |
-8.36 |
-0.95 |
0 |
|
|
150490 |
53790182 |
1 |
N3O6C16H17 |
A3B6C16D17 |
-129.59 |
3.63 |
-8.67 |
-1.96 |
0 |
|
|
150491 |
53790183 |
1 |
F3N3O5C28H34 |
A3B3C5D28E34 |
-296.51 |
11.96 |
-7.12 |
-1.92 |
0 |
|
|
150492 |
53790184 |
1 |
O5C36H68 |
A5B36C68 |
-354.41 |
2.99 |
-10.09 |
0.57 |
0 |
|
|
150493 |
53790185 |
2 |
O2C9H17 |
A2B9C17 |
-242.87 |
3.34 |
-10.37 |
0.8 |
0 |
|
|
150494 |
53790186 |
1 |
FOSN2H11C13 |
ABCD2E11F13 |
9.62 |
2.52 |
-8.98 |
-0.98 |
0 |
|
|
150495 |
53790187 |
1 |
OPN2S2C9H19 |
ABC2D2E9F19 |
-99.55 |
5.69 |
-9.01 |
-0.14 |
0 |
|
|
150496 |
53790188 |
1 |
O2H3C7F13 |
A2B3C7D13 |
-753.03 |
2.5 |
-11.68 |
-1.02 |
0 |
|
|
150497 |
53790189 |
1 |
N5O8C45H51 |
A5B8C45D51 |
-255.52 |
5.55 |
-8.36 |
-0.26 |
0 |
|
|
150498 |
53790190 |
1 |
N5O8C45H51 |
A5B8C45D51 |
-259.4 |
7.2 |
-8.65 |
-0.29 |
0 |
|
|
150499 |
53790191 |
1 |
OC12H22 |
AB12C22 |
-67.46 |
2.13 |
-9.09 |
1.37 |
0 |
|
|
150500 |
53790192 |
1 |
ClF2C38H49 |
AB2C38D49 |
-128.87 |
4.07 |
-8.95 |
-0.34 |
0 |
|
|
150501 |
53790193 |
1 |
PN2O7C16H23 |
AB2C7D16E23 |
-333.46 |
4.22 |
-9.65 |
-0.78 |
0 |
|
|
150502 |
53790194 |
1 |
N5O6C25H43 |
A5B6C25D43 |
-300.65 |
7.54 |
-9.64 |
0.18 |
0 |
|
|
150503 |
53790195 |
1 |
SO3N4H14C17 |
AB3C4D14E17 |
34.53 |
8.61 |
-9.21 |
-1.6 |
0 |
|
|
150504 |
53790196 |
1 |
N3O3C17H25 |
A3B3C17D25 |
-100.4 |
3.02 |
-9.01 |
-0.19 |
0 |
|
|
150505 |
53790197 |
1 |
ClNSF3O4H15C18 |
ABCD3E4F15G18 |
-215.99 |
2.23 |
-10.02 |
-1.78 |
0 |
|
|
150506 |
53790198 |
1 |
SN3O3C36H45 |
AB3C3D36E45 |
-59.58 |
2.18 |
-7.74 |
-0.17 |
0 |
|
|
150507 |
53790200 |
1 |
ClO2C9H11 |
AB2C9D11 |
-89.44 |
3.69 |
-9.76 |
-0.42 |
0 |
|
|
150508 |
53790201 |
1 |
SSiN2O6C37H42 |
ABC2D6E37F42 |
-201.0 |
5.4 |
-8.92 |
-1.5 |
0 |
|
|
150509 |
53790202 |
1 |
FN2O4H5C7 |
AB2C4D5E7 |
-34.17 |
3.73 |
-11.34 |
-2.25 |
0 |
|
|
150510 |
53790203 |
1 |
N3O3C11H17 |
A3B3C11D17 |
-117.77 |
4.18 |
-9.56 |
0.09 |
0 |
|
|
150511 |
53790204 |
1 |
BrN2O2C11H13 |
AB2C2D11E13 |
-24.31 |
4.71 |
-8.68 |
-0.58 |
0 |
|
|
150512 |
53790205 |
1 |
SN2O2C10H10 |
AB2C2D10E10 |
-26.98 |
3.16 |
-9.37 |
-1.47 |
0 |
|
|
150513 |
53790206 |
1 |
NO2C11H11 |
AB2C11D11 |
-44.15 |
4.5 |
-9.93 |
-0.24 |
0 |
|
|
150514 |
53790207 |
1 |
NSO5C12H13 |
ABC5D12E13 |
-111.81 |
6.02 |
-8.96 |
-1.51 |
0 |
|
|
150515 |
53790208 |
1 |
FO4C27H27 |
AB4C27D27 |
-160.61 |
7.16 |
-8.54 |
-0.18 |
0 |
|
|
150516 |
53790209 |
1 |
N3O6C9H11 |
A3B6C9D11 |
-75.76 |
3.28 |
-10.36 |
-2.21 |
0 |
|
|
150517 |
53790210 |
1 |
ClNSO2F6H12C20 |
ABCD2E6F12G20 |
-329.0 |
8.31 |
-9.4 |
-1.14 |
0 |
|
|
150518 |
53790211 |
2 |
NO3C9H10 |
AB3C9D10 |
-144.67 |
5.68 |
-10.24 |
-1.41 |
0 |
|
|
150519 |
53790212 |
1 |
SO4C30H42 |
AB4C30D42 |
-201.67 |
3.81 |
-9.0 |
0.12 |
0 |
|
|
150520 |
53790213 |
1 |
NO4C19H25 |
AB4C19D25 |
-180.84 |
6.57 |
-9.01 |
-1.16 |
0 |
|
|
150521 |
53790214 |
1 |
NO2C10H11 |
AB2C10D11 |
-48.32 |
1.85 |
-9.44 |
-0.09 |
0 |
|
|
150522 |
53790215 |
1 |
ClON6C26H27 |
ABC6D26E27 |
45.82 |
2.67 |
-8.73 |
-0.68 |
0 |
|
|
150523 |
53790216 |
1 |
BO3H21C24 |
AB3C21D24 |
12.85 |
3.82 |
-7.85 |
-1.16 |
0 |
|
|
150524 |
53790217 |
1 |
BO3H15C22 |
AB3C15D22 |
31.25 |
4.13 |
-7.98 |
-1.2 |
0 |
|
|
150525 |
53790218 |
2 |
OC16H31 |
AB16C31 |
-213.06 |
2.08 |
-9.5 |
0.88 |
0 |
|
|
150526 |
53790219 |
1 |
O2N3C7H15 |
A2B3C7D15 |
-90.57 |
3.37 |
-9.65 |
0.99 |
0 |
|
|
150527 |
53790220 |
1 |
SN2O3H16C22 |
AB2C3D16E22 |
-18.63 |
6.28 |
-9.4 |
-1.76 |
0 |
|
|
150528 |
53790221 |
1 |
O4N5F7C30H36 |
A4B5C7D30E36 |
-446.38 |
2.47 |
-9.14 |
-1.26 |
0 |
|
|
150529 |
53790222 |
1 |
BrFO2C18H18 |
ABC2D18E18 |
-101.2 |
3.63 |
-8.78 |
-0.41 |
0 |
|
|
150530 |
53790223 |
1 |
SN2O4F9C22H23 |
AB2C4D9E22F23 |
-561.92 |
6.65 |
-9.09 |
-1.64 |
0 |
|
|
150531 |
53790224 |
1 |
Br2S2O10N12H30C43 |
A2B2C10D12E30F43 |
7.73 |
6.96 |
-8.58 |
-2.51 |
0 |
|
|
150532 |
53790225 |
1 |
SN4O6C40H58 |
AB4C6D40E58 |
-287.91 |
8.62 |
-8.29 |
0.08 |
0 |
|
|
150533 |
53790226 |
1 |
BrClFO2N3H12C19 |
ABCD2E3F12G19 |
-56.32 |
5.95 |
-9.13 |
-1.33 |
0 |
|
|
150534 |
53790227 |
1 |
NO4F5H20C30 |
AB4C5D20E30 |
-275.92 |
4.16 |
-8.92 |
-1.33 |
0 |
|
|
150535 |
53790228 |
1 |
O4C11H14 |
A4B11C14 |
-156.96 |
5.21 |
-9.99 |
-0.34 |
0 |
|
|
150536 |
53790229 |
2 |
NO10C30H62 |
AB10C30D62 |
-977.56 |
21.9 |
-8.02 |
-1.37 |
0 |
|
|
150537 |
53790230 |
1 |
N3O7H37C38 |
A3B7C37D38 |
-174.81 |
9.44 |
-8.99 |
-0.57 |
0 |
|
|
150538 |
53790231 |
1 |
ON3C27H27 |
AB3C27D27 |
50.86 |
4.58 |
-8.4 |
-0.18 |
0 |
|
|
150539 |
53790232 |
1 |
OC29H54 |
AB29C54 |
-122.73 |
2.54 |
-9.85 |
-0.26 |
0 |
|
|
150540 |
53790233 |
1 |
ClNOSC17H18 |
ABCDE17F18 |
49.15 |
1.52 |
-9.0 |
-1.53 |
0 |
|
|
150541 |
53790234 |
1 |
ClNH4O5C12 |
ABC4D5E12 |
-78.73 |
6.58 |
-10.64 |
-2.79 |
0 |
|
|
150542 |
53790235 |
1 |
O4C21H32 |
A4B21C32 |
-179.78 |
6.77 |
-8.54 |
-0.82 |
0 |
|
|
150543 |
53790236 |
1 |
ON5H15C18 |
AB5C15D18 |
154.17 |
8.59 |
-8.86 |
-0.89 |
0 |
|
|
150544 |
53790237 |
1 |
NSO7C17H19 |
ABC7D17E19 |
-189.23 |
5.82 |
-8.99 |
-1.76 |
0 |
|
|
150545 |
53790238 |
1 |
O4C9H14 |
A4B9C14 |
-175.5 |
11.69 |
-9.96 |
-0.72 |
0 |
|
|
150546 |
53790239 |
1 |
PSN2C8H21 |
ABC2D8E21 |
-76.18 |
6.23 |
-8.65 |
1.32 |
0 |
|
|
150547 |
53790240 |
1 |
N2O3C10H20 |
A2B3C10D20 |
-147.99 |
3.23 |
-9.64 |
-0.03 |
0 |
|
|
150548 |
53790241 |
1 |
FOC12H15 |
ABC12D15 |
-89.8 |
1.63 |
-9.69 |
-0.17 |
0 |
|
|
150549 |
53790242 |
1 |
SO2C27H32 |
AB2C27D32 |
-61.31 |
8.69 |
-8.76 |
-0.01 |
0 |
|
|
150550 |
53790243 |
1 |
BrS3N7O7H28C32 |
AB3C7D7E28F32 |
26.51 |
14.84 |
-8.84 |
-1.62 |
0 |
|
|
150551 |
53790244 |
1 |
ClN2O4H7C9 |
AB2C4D7E9 |
-84.08 |
6.92 |
-9.74 |
-1.51 |
0 |
|
|
150552 |
53790245 |
2 |
ClNO2H12C13 |
ABC2D12E13 |
-101.64 |
0.81 |
-8.71 |
-0.74 |
0 |
|
|
150553 |
53790246 |
1 |
O2N3H7C9 |
A2B3C7D9 |
0.8 |
8.0 |
-8.99 |
-1.75 |
0 |
|
|
150554 |
53790247 |
1 |
O4C13H14 |
A4B13C14 |
-119.52 |
4.47 |
-9.23 |
-0.97 |
0 |
|
|
150555 |
53790248 |
2 |
OC4H4 |
AB4C4 |
18.97 |
0.38 |
-9.56 |
0.21 |
0 |
|
|
150556 |
53790249 |
1 |
O3N6C25H36 |
A3B6C25D36 |
-124.03 |
1.37 |
-8.69 |
0.01 |
0 |
|
|
150557 |
53790250 |
1 |
SO8C28H38 |
AB8C28D38 |
-341.97 |
2.45 |
-8.85 |
-0.69 |
0 |
|
|
150558 |
53790251 |
1 |
SO3H14C15 |
AB3C14D15 |
-67.0 |
3.5 |
-8.87 |
-0.42 |
0 |
|
|
150559 |
53790252 |
2 |
SC8H13 |
AB8C13 |
-19.82 |
3.25 |
-8.39 |
-0.17 |
0 |
|
|
150560 |
53790253 |
1 |
OC12H24 |
AB12C24 |
-84.73 |
1.85 |
-9.7 |
1.11 |
0 |
|
|
150561 |
53790254 |
1 |
ON3C5H7 |
AB3C5D7 |
44.02 |
6.29 |
-8.8 |
-0.8 |
0 |
|
|
150562 |
53790255 |
1 |
N2O3C22H24 |
A2B3C22D24 |
-55.82 |
3.6 |
-8.46 |
-0.71 |
0 |
|
|
150563 |
53790256 |
1 |
N3O3C25H31 |
A3B3C25D31 |
-115.31 |
4.49 |
-7.94 |
0.19 |
0 |
|
|
150564 |
53790257 |
1 |
ClN2O3C21H21 |
AB2C3D21E21 |
-74.94 |
6.78 |
-8.49 |
-1.13 |
0 |
|
|
150565 |
53790258 |
1 |
SN2O6C21H24 |
AB2C6D21E24 |
-126.54 |
4.2 |
-8.55 |
-1.44 |
0 |
|
|
150566 |
53790259 |
1 |
BrClO3N5H15C18 |
ABC3D5E15F18 |
43.3 |
2.64 |
-9.27 |
-1.56 |
0 |
|
|
150567 |
53790260 |
1 |
SN2O2C16H18 |
AB2C2D16E18 |
-56.03 |
7.3 |
-8.41 |
-0.81 |
0 |
|
|
150568 |
53790261 |
1 |
F2N2O6C39H44 |
A2B2C6D39E44 |
-290.56 |
2.82 |
-8.74 |
-0.78 |
0 |
|
|
150569 |
53790262 |
1 |
F2N2O6C39H44 |
A2B2C6D39E44 |
-286.12 |
3.44 |
-8.87 |
-0.59 |
0 |
|
|
150570 |
53790263 |
1 |
NCl2O4C13H15 |
AB2C4D13E15 |
-187.67 |
5.32 |
-9.49 |
-0.6 |
0 |
|
|
150571 |
53790264 |
1 |
BrCl2O4C17H21 |
AB2C4D17E21 |
-177.19 |
3.53 |
-9.66 |
-1.14 |
0 |
|
|
150572 |
53790265 |
1 |
N3O4C12H19 |
A3B4C12D19 |
-160.92 |
1.61 |
-10.54 |
-0.62 |
0 |
|
|
150573 |
53790266 |
1 |
OC17H24 |
AB17C24 |
-37.77 |
2.24 |
-9.34 |
0.36 |
0 |
|
|
150574 |
53790267 |
1 |
PSF3O6C13H18 |
ABC3D6E13F18 |
-463.69 |
5.76 |
-10.19 |
-1.1 |
0 |
|
|
150575 |
53790268 |
1 |
NC12H15 |
AB12C15 |
24.32 |
2.95 |
-8.29 |
0.07 |
0 |
|
|
150576 |
53790269 |
2 |
ON3H14C16 |
AB3C14D16 |
83.98 |
6.69 |
-9.78 |
-0.85 |
0 |
|
|
150577 |
53790270 |
1 |
H14C15 |
A14B15 |
50.82 |
1.01 |
-8.96 |
-0.04 |
0 |
|
|
150578 |
53790271 |
1 |
ClN2O2H11C14 |
AB2C2D11E14 |
0.09 |
5.69 |
-9.75 |
-1.55 |
0 |
|
|
150579 |
53790272 |
1 |
SO3N5C25H31 |
AB3C5D25E31 |
-45.59 |
5.31 |
-8.56 |
-0.62 |
0 |
|
|
150580 |
53790273 |
1 |
SN4O4H22C25 |
AB4C4D22E25 |
-42.92 |
6.58 |
-8.85 |
-0.61 |
0 |
|
|
150581 |
53790274 |
1 |
OC9H14 |
AB9C14 |
-50.27 |
3.24 |
-9.38 |
0.87 |
0 |
|
|
150582 |
53790275 |
1 |
ClN2F3H6C8 |
AB2C3D6E8 |
-109.5 |
4.12 |
-8.98 |
-1.04 |
0 |