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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
71752 |
48415324 |
1 |
O2N3C22H29 |
A2B3C22D29 |
-29.95 |
5.99 |
-8.74 |
-0.23 |
0 |
|
|
71753 |
48415326 |
1 |
N3O3C16H21 |
A3B3C16D21 |
-48.29 |
4.67 |
-8.71 |
-0.39 |
0 |
|
|
71754 |
48415328 |
1 |
O2N4C19H24 |
A2B4C19D24 |
8.49 |
5.33 |
-8.78 |
-0.31 |
0 |
|
|
71755 |
48415329 |
1 |
N2O3C18H22 |
A2B3C18D22 |
-51.14 |
6.14 |
-8.83 |
-0.56 |
0 |
|
|
71756 |
48415331 |
1 |
ON2C19H24 |
AB2C19D24 |
18.47 |
2.87 |
-8.81 |
0.26 |
0 |
|
|
71757 |
48415332 |
1 |
ON5C17H21 |
AB5C17D21 |
68.77 |
6.7 |
-8.58 |
-0.94 |
0 |
|
|
71758 |
48415333 |
1 |
OCl2N2C17H20 |
AB2C2D17E20 |
2.94 |
1.89 |
-8.92 |
-0.54 |
0 |
|
|
71759 |
48415334 |
1 |
ON5C18H25 |
AB5C18D25 |
43.39 |
2.72 |
-8.73 |
-0.04 |
0 |
|
|
71760 |
48415335 |
1 |
ON3C21H25 |
AB3C21D25 |
32.8 |
3.51 |
-8.34 |
-0.23 |
0 |
|
|
71761 |
48415336 |
1 |
BrN2O2C18H23 |
AB2C2D18E23 |
-13.47 |
5.27 |
-8.89 |
-0.24 |
0 |
|
|
71762 |
48415343 |
1 |
N3O4C21H27 |
A3B4C21D27 |
-85.62 |
3.8 |
-8.04 |
0.13 |
0 |
|
|
71763 |
48415345 |
1 |
N3O5C22H29 |
A3B5C22D29 |
-125.31 |
4.64 |
-8.38 |
0.05 |
0 |
|
|
71764 |
48415349 |
1 |
BrO2N3C19H22 |
AB2C3D19E22 |
-6.79 |
7.32 |
-9.01 |
-0.25 |
0 |
|
|
71765 |
48415350 |
1 |
BrO2N3C19H22 |
AB2C3D19E22 |
-7.22 |
4.79 |
-9.12 |
-0.33 |
0 |
|
|
71766 |
48415351 |
1 |
SN3O4C21H29 |
AB3C4D21E29 |
-96.85 |
3.46 |
-8.88 |
-0.83 |
0 |
|
|
71767 |
48415354 |
1 |
ClON4C21H25 |
ABC4D21E25 |
54.89 |
5.1 |
-8.8 |
-0.82 |
0 |
|
|
71768 |
48415355 |
1 |
FO2N4C18H19 |
AB2C4D18E19 |
-34.82 |
1.24 |
-9.02 |
-1.25 |
0 |
|
|
71769 |
48415356 |
1 |
N2O2C17H20 |
A2B2C17D20 |
-5.0 |
3.58 |
-8.77 |
-0.16 |
0 |
|
|
71770 |
48415357 |
1 |
ClN2O2C17H21 |
AB2C2D17E21 |
-9.41 |
4.5 |
-8.82 |
0.02 |
0 |
|
|
71771 |
48415359 |
1 |
ON3C19H23 |
AB3C19D23 |
36.74 |
6.09 |
-8.48 |
-0.01 |
0 |
|
|
71772 |
48415362 |
1 |
N3O4C20H23 |
A3B4C20D23 |
-72.8 |
5.19 |
-8.4 |
-0.12 |
0 |
|
|
71773 |
48415364 |
1 |
ON3C20H25 |
AB3C20D25 |
23.36 |
3.36 |
-8.42 |
-0.02 |
0 |
|
|
71774 |
48415365 |
1 |
FON4C20H23 |
ABC4D20E23 |
26.54 |
1.52 |
-9.08 |
-0.76 |
0 |
|
|
71775 |
48415366 |
1 |
ClON4C20H23 |
ABC4D20E23 |
60.5 |
3.85 |
-8.84 |
-0.89 |
0 |
|
|
71776 |
48415368 |
1 |
SN3O3C19H25 |
AB3C3D19E25 |
-19.83 |
7.25 |
-9.0 |
-0.85 |
0 |
|
|
71777 |
48415374 |
1 |
BrON4C20H23 |
ABC4D20E23 |
72.12 |
4.26 |
-8.98 |
-0.81 |
0 |
|
|
71778 |
48415375 |
1 |
ON4C23H28 |
AB4C23D28 |
51.16 |
6.42 |
-8.41 |
-0.22 |
0 |
|
|
71779 |
48415377 |
1 |
O2N4C19H24 |
A2B4C19D24 |
-3.96 |
3.92 |
-9.08 |
-0.25 |
0 |
|
|
71780 |
48415378 |
1 |
BrON4C18H19 |
ABC4D18E19 |
88.6 |
3.01 |
-9.0 |
-1.07 |
0 |
|
|
71781 |
48415380 |
1 |
N3O3C20H25 |
A3B3C20D25 |
-31.2 |
4.46 |
-8.9 |
-0.21 |
0 |
|
|
71782 |
48415383 |
1 |
ON4C19H28 |
AB4C19D28 |
45.98 |
5.99 |
-8.64 |
0.48 |
0 |
|
|
71783 |
48415385 |
1 |
ON4C23H28 |
AB4C23D28 |
64.76 |
5.48 |
-8.71 |
-0.55 |
0 |
|
|
71784 |
48415386 |
1 |
N2O2C15H24 |
A2B2C15D24 |
-48.89 |
2.26 |
-8.82 |
0.63 |
0 |
|
|
71785 |
48415388 |
1 |
BrN2O2C18H23 |
AB2C2D18E23 |
-13.44 |
4.15 |
-8.87 |
-0.37 |
0 |
|
|
71786 |
48415389 |
1 |
BrN2O3C20H21 |
AB2C3D20E21 |
-2.97 |
3.52 |
-8.99 |
-0.64 |
0 |
|
|
71787 |
48415395 |
1 |
OF2N4C21H22 |
AB2C4D21E22 |
-6.01 |
5.72 |
-8.77 |
-1.09 |
0 |
|
|
71788 |
48415399 |
1 |
O2N3C20H25 |
A2B3C20D25 |
-13.99 |
3.59 |
-8.85 |
-0.46 |
0 |
|
|
71789 |
48415400 |
1 |
O2N3C23H31 |
A2B3C23D31 |
-36.3 |
3.44 |
-8.99 |
0.05 |
0 |
|
|
71790 |
48415401 |
1 |
OSN4C11H14 |
ABC4D11E14 |
71.76 |
2.82 |
-9.03 |
-1.19 |
0 |
|
|
71791 |
48415409 |
1 |
SO3N4C21H24 |
AB3C4D21E24 |
-59.78 |
6.81 |
-8.85 |
-0.26 |
0 |
|
|
71792 |
48415412 |
1 |
ClFON3H17C18 |
ABCD3E17F18 |
-38.71 |
6.65 |
-8.65 |
-1.07 |
0 |
|
|
71793 |
48415414 |
1 |
ON6C23H26 |
AB6C23D26 |
72.98 |
4.14 |
-9.07 |
-0.73 |
0 |
|
|
71794 |
48415416 |
1 |
O2N5C22H33 |
A2B5C22D33 |
-84.46 |
3.77 |
-8.86 |
-0.04 |
0 |
|
|
71795 |
48415421 |
1 |
ON6C23H28 |
AB6C23D28 |
41.09 |
5.42 |
-8.88 |
-0.69 |
0 |
|
|
71796 |
48415424 |
1 |
ON3C21H25 |
AB3C21D25 |
4.54 |
3.92 |
-8.95 |
-0.13 |
0 |
|
|
71797 |
48415425 |
1 |
ClON3C20H22 |
ABC3D20E22 |
-1.01 |
3.47 |
-9.03 |
-0.21 |
0 |
|
|
71798 |
48415426 |
1 |
SO2N4C19H22 |
AB2C4D19E22 |
-24.28 |
3.57 |
-8.84 |
-0.93 |
0 |
|
|
71799 |
48415429 |
1 |
ON5C24H25 |
AB5C24D25 |
69.03 |
5.8 |
-8.9 |
-0.8 |
0 |
|
|
71800 |
48415438 |
1 |
ClON3C21H24 |
ABC3D21E24 |
-10.73 |
3.29 |
-8.98 |
-0.16 |
0 |
|
|
71801 |
48415445 |
1 |
FO2N4C23H23 |
AB2C4D23E23 |
-42.53 |
5.12 |
-9.09 |
-0.84 |
0 |
|
|
71802 |
48415446 |
1 |
O2N6C21H22 |
A2B6C21D22 |
48.63 |
6.91 |
-9.22 |
-0.96 |
0 |
|
|
71803 |
48415454 |
1 |
O2N4C19H24 |
A2B4C19D24 |
-15.37 |
5.37 |
-8.91 |
-0.11 |
0 |
|
|
71804 |
48415456 |
1 |
O3N5C23H23 |
A3B5C23D23 |
-13.49 |
7.85 |
-8.5 |
-0.76 |
0 |
|
|
71805 |
48415457 |
1 |
O3N5C22H23 |
A3B5C22D23 |
-56.68 |
6.82 |
-9.03 |
-0.36 |
0 |
|
|
71806 |
48415459 |
1 |
ON6C23H26 |
AB6C23D26 |
49.28 |
7.57 |
-8.82 |
-0.56 |
0 |
|
|
71807 |
48415463 |
1 |
SO2N4C18H22 |
AB2C4D18E22 |
-44.86 |
1.23 |
-8.88 |
-0.3 |
0 |
|
|
71808 |
48415470 |
1 |
FON4H21C22 |
ABC4D21E22 |
-9.39 |
6.16 |
-9.12 |
-1.04 |
0 |
|
|
71809 |
48415472 |
1 |
ClON4H21C22 |
ABC4D21E22 |
29.02 |
1.52 |
-9.07 |
-1.21 |
0 |
|
|
71810 |
48415474 |
1 |
ON5C19H25 |
AB5C19D25 |
10.55 |
5.47 |
-8.96 |
-0.49 |
0 |
|
|
71811 |
48415480 |
1 |
SO2N4C21H22 |
AB2C4D21E22 |
-25.33 |
4.83 |
-8.88 |
-0.72 |
0 |
|
|
71812 |
48415483 |
1 |
O2N3C24H27 |
A2B3C24D27 |
-35.31 |
4.22 |
-8.99 |
-0.6 |
0 |
|
|
71813 |
48415484 |
1 |
FO2N3C21H24 |
AB2C3D21E24 |
-78.84 |
7.86 |
-8.59 |
-0.21 |
0 |
|
|
71814 |
48415493 |
2 |
ON2C11H11 |
AB2C11D11 |
1.27 |
5.06 |
-8.63 |
-1.04 |
0 |
|
|
71815 |
48415496 |
1 |
O3N5C22H29 |
A3B5C22D29 |
-113.56 |
5.14 |
-9.11 |
-0.28 |
0 |
|
|
71816 |
48415500 |
1 |
O2N4C25H26 |
A2B4C25D26 |
-12.29 |
3.08 |
-8.78 |
-0.43 |
0 |
|
|
71817 |
48415501 |
1 |
O2N5C24H27 |
A2B5C24D27 |
0.0 |
1.55 |
-8.83 |
-0.52 |
0 |
|
|
71818 |
48415502 |
1 |
OSN5C22H23 |
ABC5D22E23 |
61.31 |
6.86 |
-8.57 |
-0.47 |
0 |
|
|
71819 |
48415503 |
1 |
SO3N4C19H22 |
AB3C4D19E22 |
-52.57 |
3.74 |
-9.04 |
-0.81 |
0 |
|
|
71820 |
48415504 |
1 |
O3N4C22H28 |
A3B4C22D28 |
-91.66 |
2.53 |
-8.78 |
-0.17 |
0 |
|
|
71821 |
48415505 |
1 |
SN3O3C16H21 |
AB3C3D16E21 |
-95.91 |
7.14 |
-9.18 |
-0.36 |
0 |
|
|
71822 |
48415506 |
1 |
ON4C22H24 |
AB4C22D24 |
27.66 |
5.84 |
-8.56 |
-0.02 |
0 |
|
|
71823 |
48415507 |
1 |
O2N5C22H23 |
A2B5C22D23 |
17.66 |
4.48 |
-8.82 |
-1.13 |
0 |
|
|
71824 |
48415509 |
1 |
O2N5C17H21 |
A2B5C17D21 |
-23.39 |
4.88 |
-8.7 |
-0.69 |
0 |
|
|
71825 |
48415510 |
1 |
O2N5C24H29 |
A2B5C24D29 |
-33.83 |
2.49 |
-8.86 |
-0.44 |
0 |
|
|
71826 |
48415511 |
1 |
N3O3C22H25 |
A3B3C22D25 |
-36.82 |
5.74 |
-8.69 |
-0.26 |
0 |
|
|
71827 |
48415512 |
1 |
SN4O4C19H22 |
AB4C4D19E22 |
-94.97 |
4.43 |
-9.03 |
-0.73 |
0 |
|
|
71828 |
48415513 |
1 |
SO3N4C21H26 |
AB3C4D21E26 |
-72.84 |
6.36 |
-8.99 |
-0.8 |
0 |
|
|
71829 |
48415514 |
1 |
BrFON3H17C18 |
ABCD3E17F18 |
-27.53 |
7.68 |
-8.6 |
-1.17 |
0 |
|
|
71830 |
48415515 |
1 |
O3N5C18H19 |
A3B5C18D19 |
17.06 |
6.52 |
-9.19 |
-1.67 |
0 |
|
|
71831 |
48415516 |
1 |
N3O3C22H27 |
A3B3C22D27 |
-75.78 |
2.88 |
-8.74 |
-0.2 |
0 |
|
|
71832 |
48415517 |
1 |
ON5C21H21 |
AB5C21D21 |
64.76 |
1.22 |
-8.94 |
-0.37 |
0 |
|
|
71833 |
48415518 |
1 |
O3N5C19H23 |
A3B5C19D23 |
-45.65 |
6.07 |
-8.66 |
-1.3 |
0 |
|
|
71834 |
48415519 |
1 |
OS2N4C20H20 |
AB2C4D20E20 |
57.37 |
5.01 |
-9.0 |
-0.99 |
0 |
|
|
71835 |
48415520 |
1 |
SO2N4C17H22 |
AB2C4D17E22 |
-54.6 |
11.23 |
-9.11 |
-0.48 |
0 |
|
|
71836 |
48415521 |
1 |
SO3N4C20H24 |
AB3C4D20E24 |
-59.44 |
4.68 |
-9.04 |
-0.96 |
0 |
|
|
71837 |
48415522 |
1 |
SO3N4C21H24 |
AB3C4D21E24 |
-34.49 |
9.08 |
-9.14 |
-0.88 |
0 |
|
|
71838 |
48415523 |
1 |
SO3N4C21H26 |
AB3C4D21E26 |
-73.61 |
2.66 |
-8.99 |
-0.72 |
0 |
|
|
71839 |
48415524 |
1 |
SO3N4C21H26 |
AB3C4D21E26 |
-69.68 |
2.49 |
-8.91 |
-0.99 |
0 |
|
|
71840 |
48415525 |
1 |
FON3C19H20 |
ABC3D19E20 |
-35.9 |
3.9 |
-9.11 |
-0.29 |
0 |
|
|
71841 |
48415526 |
1 |
FO2N4C20H21 |
AB2C4D20E21 |
-69.69 |
3.68 |
-9.04 |
-0.53 |
0 |
|
|
71842 |
48415527 |
2 |
ON2C11H13 |
AB2C11D13 |
-42.28 |
9.36 |
-8.61 |
-0.37 |
0 |
|
|
71843 |
48415529 |
1 |
ClO2N3H18C20 |
AB2C3D18E20 |
0.57 |
2.2 |
-8.87 |
-1.14 |
0 |
|
|
71844 |
48415530 |
1 |
O3N4C22H32 |
A3B4C22D32 |
-129.26 |
4.7 |
-8.95 |
-0.13 |
0 |
|
|
71845 |
48415531 |
1 |
O2N3C20H23 |
A2B3C20D23 |
-27.03 |
3.63 |
-8.9 |
-0.16 |
0 |
|
|
71846 |
48415532 |
1 |
ClO2N3C21H22 |
AB2C3D21E22 |
-39.17 |
6.04 |
-8.7 |
-0.32 |
0 |
|
|
71847 |
48415533 |
1 |
OS2N4C20H20 |
AB2C4D20E20 |
50.99 |
8.15 |
-8.58 |
-1.45 |
0 |
|
|
71848 |
48415534 |
1 |
O2N3C23H27 |
A2B3C23D27 |
-46.68 |
6.81 |
-8.63 |
-0.55 |
0 |
|
|
71849 |
48415535 |
1 |
OSN6C18H24 |
ABC6D18E24 |
26.22 |
4.45 |
-8.71 |
-0.3 |
0 |
|
|
71850 |
48415536 |
1 |
SO2N5C20H21 |
AB2C5D20E21 |
43.64 |
7.65 |
-9.06 |
-0.68 |
0 |
|
|
71851 |
48415537 |
1 |
ON5C23H33 |
AB5C23D33 |
-11.2 |
4.88 |
-8.83 |
-0.02 |
0 |