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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
44473 |
10503690 |
1 |
NSO6C23H31 |
ABC6D23E31 |
-137.6 |
9.15 |
-8.73 |
-1.2 |
0 |
|
|
44474 |
10503692 |
1 |
N3O5C24H39 |
A3B5C24D39 |
-228.87 |
2.64 |
-9.28 |
-0.02 |
0 |
|
|
44475 |
10503693 |
1 |
NSO5C24H35 |
ABC5D24E35 |
-202.37 |
5.21 |
-8.91 |
-0.65 |
0 |
|
|
44476 |
10503696 |
2 |
ClNSC10H23 |
ABCD10E23 |
-108.12 |
27.93 |
-7.78 |
-2.06 |
0 |
|
|
44477 |
10503697 |
2 |
NSC10H22 |
ABC10D22 |
-82.38 |
4.29 |
-8.92 |
-0.88 |
0 |
|
|
44478 |
10503698 |
1 |
SiO2N3C26H35 |
AB2C3D26E35 |
-91.96 |
4.05 |
-8.25 |
-0.07 |
0 |
|
|
44479 |
10503705 |
1 |
ClO3N5C21H44 |
AB3C5D21E44 |
-238.29 |
4.13 |
-9.68 |
0.36 |
0 |
|
|
44480 |
10503720 |
1 |
N2O7H22C24 |
A2B7C22D24 |
-225.14 |
8.03 |
-9.36 |
-1.7 |
0 |
|
|
44481 |
10503738 |
1 |
ON4C29H30 |
AB4C29D30 |
90.82 |
7.89 |
-8.37 |
-0.17 |
0 |
|
|
44482 |
10503743 |
2 |
NO2C13H23 |
AB2C13D23 |
-206.64 |
3.17 |
-8.38 |
0.14 |
0 |
|
|
44483 |
10503747 |
2 |
OCl3H7C8 |
AB3C7D8 |
-75.37 |
3.15 |
-8.46 |
-0.78 |
0 |
|
|
44484 |
10503749 |
1 |
SN2O3C23H30 |
AB2C3D23E30 |
-63.47 |
1.37 |
-8.72 |
-0.36 |
0 |
|
|
44485 |
10503753 |
1 |
BrO2N4H19C22 |
AB2C4D19E22 |
6.47 |
4.37 |
-8.68 |
-1.07 |
0 |
|
|
44486 |
10503754 |
1 |
BrSO4C21H23 |
ABC4D21E23 |
-142.3 |
5.47 |
-9.56 |
-1.03 |
0 |
|
|
44487 |
10503762 |
1 |
O4N7C22H25 |
A4B7C22D25 |
-48.26 |
5.11 |
-9.06 |
-1.03 |
0 |
|
|
44488 |
10503763 |
1 |
O5N9C18H29 |
A5B9C18D29 |
-144.52 |
5.2 |
-8.44 |
-0.34 |
0 |
|
|
44489 |
10503764 |
1 |
NO6C26H29 |
AB6C26D29 |
-149.5 |
3.46 |
-9.2 |
0.14 |
0 |
|
|
44490 |
10503765 |
1 |
NO6C26H29 |
AB6C26D29 |
-145.45 |
5.34 |
-9.3 |
-0.86 |
0 |
|
|
44491 |
10503768 |
1 |
NOF3C28H28 |
ABC3D28E28 |
-133.42 |
5.11 |
-8.9 |
-0.53 |
0 |
|
|
44492 |
10503775 |
1 |
NSSiO5C22H33 |
ABCD5E22F33 |
-230.63 |
6.26 |
-9.39 |
-0.44 |
0 |
|
|
44493 |
10503777 |
1 |
NSiO2C28H41 |
ABC2D28E41 |
-81.59 |
2.29 |
-8.74 |
0.35 |
0 |
|
|
44494 |
10503782 |
1 |
ClN3O3C25H26 |
AB3C3D25E26 |
66.36 |
36.69 |
-6.62 |
-3.85 |
0 |
|
|
44495 |
10503786 |
1 |
SeCl2N2O2H14C19 |
AB2C2D2E14F19 |
8.12 |
4.91 |
-9.6 |
-1.09 |
0 |
|
|
44496 |
10503795 |
1 |
O11C21H24 |
A11B21C24 |
-411.11 |
2.06 |
-8.73 |
-0.75 |
0 |
|
|
44497 |
10503803 |
2 |
FO3C12H15 |
AB3C12D15 |
-274.46 |
6.02 |
-9.17 |
-0.43 |
0 |
|
|
44498 |
10503807 |
1 |
SO6H24C25 |
AB6C24D25 |
-165.58 |
1.26 |
-8.82 |
-0.64 |
0 |
|
|
44499 |
10503808 |
1 |
FO2S2N4H17C22 |
AB2C2D4E17F22 |
2.88 |
2.72 |
-8.86 |
-0.98 |
0 |
|
|
44500 |
10503810 |
1 |
O10C21H40 |
A10B21C40 |
-491.1 |
4.77 |
-10.22 |
0.65 |
0 |
|
|
44501 |
10503811 |
1 |
O6C27H32 |
A6B27C32 |
-183.31 |
5.47 |
-8.6 |
0.3 |
0 |
|
|
44502 |
10503812 |
1 |
O6C27H32 |
A6B27C32 |
-239.69 |
5.79 |
-8.86 |
-0.75 |
0 |
|
|
44503 |
10503813 |
2 |
O2H14C15 |
A2B14C15 |
-88.88 |
1.64 |
-8.65 |
-0.42 |
0 |
|
|
44504 |
10503823 |
1 |
PSO2C27H33 |
ABC2D27E33 |
-49.66 |
5.35 |
-8.07 |
0.13 |
0 |
|
|
44505 |
10503825 |
1 |
ON2C31H36 |
AB2C31D36 |
48.13 |
3.48 |
-9.03 |
0.17 |
0 |
|
|
44506 |
10503826 |
2 |
NOS3H4C8 |
ABC3D4E8 |
59.77 |
3.25 |
-8.62 |
-2.52 |
0 |
|
|
44507 |
10503839 |
1 |
ClN2O5H21C24 |
AB2C5D21E24 |
-139.23 |
1.09 |
-9.42 |
-1.3 |
0 |
|
|
44508 |
10503841 |
1 |
ClSN2O2C25H25 |
ABC2D2E25F25 |
-17.27 |
3.16 |
-8.68 |
-0.82 |
0 |
|
|
44510 |
10503855 |
1 |
N5O5C23H27 |
A5B5C23D27 |
-131.04 |
6.26 |
-8.47 |
-0.93 |
0 |
|
|
44511 |
10503856 |
1 |
O4N7C22H27 |
A4B7C22D27 |
-110.89 |
6.14 |
-9.03 |
-0.84 |
0 |
|
|
44512 |
10503860 |
1 |
NO4H27C29 |
AB4C27D29 |
-84.29 |
9.94 |
-8.84 |
-0.92 |
0 |
|
|
44513 |
10503861 |
1 |
NO4H27C29 |
AB4C27D29 |
-70.53 |
4.06 |
-8.41 |
-0.62 |
0 |
|
|
44514 |
10503862 |
1 |
N3O5C25H31 |
A3B5C25D31 |
-197.53 |
1.53 |
-8.97 |
0.14 |
0 |
|
|
44515 |
10503864 |
1 |
N3O5C25H31 |
A3B5C25D31 |
-177.41 |
2.66 |
-8.49 |
-0.01 |
0 |
|
|
44516 |
10503865 |
1 |
NSO5C25H27 |
ABC5D25E27 |
-148.47 |
8.48 |
-9.25 |
-0.18 |
0 |
|
|
44517 |
10503867 |
1 |
SN3O4C24H27 |
AB3C4D24E27 |
-104.17 |
3.38 |
-8.5 |
-0.88 |
0 |
|
|
44518 |
10503871 |
1 |
FS2N3O3C21H28 |
AB2C3D3E21F28 |
-152.72 |
8.35 |
-8.67 |
-0.52 |
0 |
|
|
44519 |
10503880 |
1 |
ClNO2C28H36 |
ABC2D28E36 |
-82.11 |
8.24 |
-8.45 |
-0.64 |
0 |
|
|
44520 |
10503891 |
1 |
FN4O8C18H35 |
AB4C8D18E35 |
-415.59 |
6.33 |
-9.62 |
0.92 |
0 |
|
|
44521 |
10503892 |
1 |
IOSi2C19H27 |
ABC2D19E27 |
-73.49 |
2.17 |
-7.92 |
-0.8 |
0 |
|
|
44522 |
10503893 |
1 |
SN4O7C19H26 |
AB4C7D19E26 |
-240.55 |
6.48 |
-9.28 |
-0.55 |
0 |
|
|
44523 |
10503894 |
1 |
SN2F3O3C22H25 |
AB2C3D3E22F25 |
-247.56 |
3.16 |
-8.67 |
-1.85 |
0 |
|
|
44524 |
10503896 |
1 |
O7C26H30 |
A7B26C30 |
-178.54 |
6.25 |
-9.41 |
-1.21 |
0 |
|
|
44525 |
10503897 |
1 |
N2O6C25H30 |
A2B6C25D30 |
-201.34 |
4.66 |
-9.29 |
-0.24 |
0 |
|
|
44526 |
10503898 |
1 |
N2O6C25H30 |
A2B6C25D30 |
-225.7 |
0.56 |
-9.74 |
-0.35 |
0 |
|
|
44527 |
10503900 |
1 |
N4O5C24H30 |
A4B5C24D30 |
-168.06 |
4.96 |
-9.37 |
-0.26 |
0 |
|
|
44528 |
10503908 |
1 |
PO3C28H39 |
AB3C28D39 |
-165.08 |
4.61 |
-9.47 |
-0.01 |
0 |
|
|
44529 |
10503915 |
1 |
SiO3C28H42 |
AB3C28D42 |
-177.03 |
2.41 |
-8.78 |
-0.06 |
0 |
|
|
44530 |
10503916 |
2 |
O2C14H27 |
A2B14C27 |
-294.71 |
2.53 |
-10.33 |
0.02 |
0 |
|
|
44531 |
10503918 |
1 |
Si2O5C23H42 |
A2B5C23D42 |
-316.7 |
3.39 |
-8.88 |
-1.09 |
0 |
|
|
44532 |
10503919 |
1 |
OSi2C28H44 |
AB2C28D44 |
-75.07 |
0.14 |
-7.45 |
-1.42 |
0 |
|
|
44533 |
10503928 |
1 |
Cl2O7H20C21 |
A2B7C20D21 |
-246.82 |
1.76 |
-8.75 |
-0.55 |
1 |
|
|
44534 |
10503932 |
1 |
N3C22H22 |
A3B22C22 |
96.13 |
1.41 |
0.0 |
0.0 |
0 |
|
|
44535 |
10503935 |
1 |
BrN2O2C24H27 |
AB2C2D24E27 |
-19.19 |
6.42 |
-8.04 |
-0.35 |
0 |
|
|
44536 |
10503939 |
1 |
NO13C17H29 |
AB13C17D29 |
-597.07 |
4.62 |
-10.32 |
0.31 |
0 |
|
|
44537 |
10503942 |
1 |
NSO10C19H21 |
ABC10D19E21 |
-311.0 |
3.04 |
-10.19 |
-1.49 |
0 |
|
|
44538 |
10503953 |
1 |
N3O3C28H29 |
A3B3C28D29 |
-50.65 |
1.92 |
-8.54 |
-0.76 |
0 |
|
|
44539 |
10503955 |
1 |
FO2N5C25H34 |
AB2C5D25E34 |
-58.66 |
2.67 |
-8.53 |
-0.18 |
0 |
|
|
44540 |
10503958 |
1 |
O2N3C29H33 |
A2B3C29D33 |
-32.06 |
3.99 |
-8.94 |
-0.24 |
0 |
|
|
44541 |
10503961 |
1 |
O3N5C25H37 |
A3B5C25D37 |
-118.2 |
3.57 |
-8.47 |
-0.13 |
0 |
|
|
44542 |
10503963 |
1 |
FSSiO2N3C23H26 |
ABCD2E3F23G26 |
-50.55 |
5.97 |
-8.69 |
-0.5 |
0 |
|
|
44543 |
10503965 |
1 |
NSiO3C27H41 |
ABC3D27E41 |
-178.08 |
1.82 |
-8.74 |
0.25 |
0 |
|
|
44544 |
10503972 |
1 |
ClNSO2C26H30 |
ABCD2E26F30 |
-39.83 |
4.75 |
-8.48 |
-0.56 |
0 |
|
|
44545 |
10503981 |
1 |
SN2O9C19H24 |
AB2C9D19E24 |
-359.97 |
3.05 |
-8.96 |
-0.65 |
0 |
|
|
44546 |
10503983 |
1 |
F2N2O4C25H26 |
A2B2C4D25E26 |
-231.08 |
9.06 |
-8.85 |
-1.22 |
0 |
|
|
44547 |
10503991 |
1 |
O7C26H32 |
A7B26C32 |
-261.34 |
2.47 |
-9.08 |
-0.13 |
0 |
|
|
44548 |
10503997 |
1 |
O4N6C23H32 |
A4B6C23D32 |
-95.97 |
3.2 |
-8.73 |
-0.62 |
0 |
|
|
44549 |
10504001 |
1 |
N2O3C29H32 |
A2B3C29D32 |
-34.06 |
3.67 |
-8.77 |
-0.25 |
0 |
|
|
44550 |
10504019 |
1 |
SiO4C26H52 |
AB4C26D52 |
-317.43 |
1.24 |
-8.99 |
1.02 |
0 |
|
|
44551 |
10504025 |
1 |
NOI2C13H17 |
ABC2D13E17 |
-7.62 |
3.97 |
-8.95 |
-1.28 |
1 |
|
|
44552 |
10504026 |
1 |
INOC13H17 |
ABCD13E17 |
-9.64 |
2.07 |
0.0 |
0.0 |
0 |
|
|
44553 |
10504028 |
1 |
BrO2N4C22H25 |
AB2C4D22E25 |
-25.89 |
6.18 |
-8.51 |
-0.89 |
0 |
|
|
44554 |
10504031 |
1 |
N5O5H19C24 |
A5B5C19D24 |
8.12 |
7.35 |
-9.26 |
-1.88 |
0 |
|
|
44555 |
10504032 |
1 |
ClNOSiZnC22H34 |
ABCDEF22G34 |
29.45 |
5.74 |
-8.63 |
-1.75 |
0 |
|
|
44556 |
10504033 |
1 |
NOSiC22H35 |
ABCD22E35 |
-89.27 |
3.39 |
-8.18 |
0.27 |
0 |
|
|
44557 |
10504055 |
1 |
OS2N3H23C26 |
AB2C3D23E26 |
40.79 |
6.79 |
-8.66 |
-1.66 |
0 |
|
|
44558 |
10504056 |
1 |
NSO2C29H31 |
ABC2D29E31 |
-1.75 |
6.59 |
-8.93 |
-0.65 |
0 |
|
|
44559 |
10504061 |
1 |
ClNSO4C24H24 |
ABCD4E24F24 |
-113.43 |
4.89 |
-9.35 |
-0.98 |
0 |
|
|
44560 |
10504071 |
1 |
SiN2F5O6C16H19 |
AB2C5D6E16F19 |
-465.27 |
7.18 |
-9.79 |
-1.3 |
0 |
|
|
44561 |
10504076 |
1 |
O8C25H30 |
A8B25C30 |
-266.05 |
5.71 |
-8.83 |
-0.16 |
0 |
|
|
44562 |
10504084 |
2 |
NO2C14H15 |
AB2C14D15 |
-67.63 |
0.83 |
-9.38 |
-0.05 |
0 |
|
|
44563 |
10504085 |
1 |
O3N4C27H30 |
A3B4C27D30 |
23.6 |
11.63 |
-8.64 |
-1.44 |
0 |
|
|
44564 |
10504087 |
1 |
SN2O5C24H30 |
AB2C5D24E30 |
-169.63 |
5.48 |
-8.54 |
-0.44 |
0 |
|
|
44565 |
10504090 |
1 |
SiN2O8C20H34 |
AB2C8D20E34 |
-400.59 |
2.17 |
-9.03 |
-0.38 |
0 |
|
|
44566 |
10504093 |
1 |
N2O3C29H34 |
A2B3C29D34 |
-94.71 |
3.15 |
-9.43 |
0.03 |
0 |
|
|
44567 |
10504096 |
1 |
ON6C27H34 |
AB6C27D34 |
65.02 |
8.36 |
-8.66 |
-0.75 |
0 |
|
|
44568 |
10504098 |
2 |
NOC15H19 |
ABC15D19 |
-68.2 |
3.02 |
-8.44 |
0.02 |
0 |
|
|
44569 |
10504100 |
1 |
O2S2N4C23H30 |
A2B2C4D23E30 |
-27.31 |
1.99 |
-8.55 |
-0.95 |
0 |
|
|
44570 |
10504109 |
2 |
SiO3C11H21 |
AB3C11D21 |
-398.85 |
5.38 |
-8.87 |
-0.56 |
0 |
|
|
44571 |
10504115 |
2 |
NOCl3C7H9 |
ABC3D7E9 |
-139.64 |
2.57 |
-9.69 |
-0.8 |
1 |
|
|
44572 |
10504117 |
1 |
NSO2H14C20 |
ABC2D14E20 |
25.07 |
3.46 |
0.0 |
0.0 |
0 |
|
|
44573 |
10504124 |
1 |
ClON6C22H23 |
ABC6D22E23 |
83.62 |
2.16 |
-8.72 |
-1.27 |
0 |