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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
24677 |
612125 |
1 |
N2O3C22H24 |
A2B3C22D24 |
-61.88 |
2.47 |
-8.75 |
-1.11 |
0 |
|
|
24678 |
612133 |
1 |
O3C28H48 |
A3B28C48 |
-222.7 |
2.2 |
-10.03 |
0.85 |
0 |
|
|
24679 |
612164 |
1 |
NO2C27H29 |
AB2C27D29 |
-29.95 |
4.11 |
-9.11 |
-0.07 |
0 |
|
|
24680 |
612171 |
1 |
NO7C11H17 |
AB7C11D17 |
-260.52 |
1.46 |
-9.31 |
-0.02 |
0 |
|
|
24681 |
612175 |
1 |
BNOC14H22 |
ABCD14E22 |
-98.24 |
3.04 |
-8.9 |
0.3 |
0 |
|
|
24682 |
612176 |
1 |
N2O3H8C11 |
A2B3C8D11 |
24.16 |
6.48 |
-9.75 |
-1.56 |
0 |
|
|
24683 |
612177 |
1 |
SN2C12H12 |
AB2C12D12 |
43.44 |
0.89 |
-8.35 |
0.01 |
0 |
|
|
24684 |
612195 |
1 |
FCl2N2O2H11C18 |
AB2C2D2E11F18 |
-56.1 |
3.72 |
-9.02 |
-1.29 |
0 |
|
|
24685 |
612198 |
1 |
ClN2H13C15 |
AB2C13D15 |
64.95 |
3.89 |
-8.68 |
-0.36 |
0 |
|
|
24686 |
612199 |
1 |
ClO4C9H9 |
AB4C9D9 |
-146.21 |
6.14 |
-9.32 |
-0.8 |
0 |
|
|
24687 |
612241 |
1 |
ClN2H9C12 |
AB2C9D12 |
80.37 |
5.01 |
-9.99 |
-1.2 |
0 |
|
|
24688 |
612251 |
1 |
NO3C15H17 |
AB3C15D17 |
-103.99 |
7.55 |
-9.49 |
-0.77 |
0 |
|
|
24689 |
612259 |
1 |
NO3C14H17 |
AB3C14D17 |
-52.14 |
1.55 |
-8.13 |
0.19 |
0 |
|
|
24690 |
612265 |
1 |
SiO2C12H12 |
AB2C12D12 |
-108.06 |
1.32 |
-8.36 |
-0.29 |
0 |
|
|
24691 |
612275 |
2 |
NOC6H6 |
ABC6D6 |
-32.87 |
6.8 |
-9.56 |
-0.77 |
0 |
|
|
24692 |
612276 |
1 |
ClN2H9C12 |
AB2C9D12 |
72.63 |
2.73 |
-9.34 |
-0.99 |
0 |
|
|
24693 |
612304 |
1 |
ClNPO3C15H17 |
ABCD3E15F17 |
-139.88 |
3.19 |
-8.27 |
-0.02 |
0 |
|
|
24694 |
612307 |
1 |
F2C23H28 |
A2B23C28 |
-93.46 |
3.77 |
-9.21 |
-0.37 |
0 |
|
|
24695 |
612308 |
2 |
FC10H11 |
AB10C11 |
-78.22 |
3.94 |
-9.13 |
-0.43 |
0 |
|
|
24696 |
612309 |
1 |
NSO3C24H35 |
ABC3D24E35 |
-147.59 |
7.02 |
-8.97 |
-0.86 |
0 |
|
|
24697 |
612310 |
1 |
NO2F3H8C10 |
AB2C3D8E10 |
-214.76 |
6.16 |
-9.67 |
-1.23 |
0 |
|
|
24698 |
612313 |
1 |
NOC15H21 |
ABC15D21 |
-16.61 |
3.94 |
-8.75 |
-0.06 |
0 |
|
|
24699 |
612314 |
1 |
NOSiC13H17 |
ABCD13E17 |
-64.15 |
2.96 |
-8.9 |
-0.43 |
0 |
|
|
24700 |
612315 |
2 |
N2O2C6H7 |
A2B2C6D7 |
43.11 |
10.2 |
-9.43 |
-1.54 |
0 |
|
|
24701 |
612321 |
1 |
NOSC14H19 |
ABCD14E19 |
-0.8 |
8.27 |
-8.01 |
-0.67 |
0 |
|
|
24702 |
612343 |
1 |
OB2C15H28 |
AB2C15D28 |
-167.81 |
1.58 |
-9.21 |
0.72 |
0 |
|
|
24703 |
612344 |
1 |
OC17H30 |
AB17C30 |
-111.9 |
2.19 |
-9.83 |
3.05 |
0 |
|
|
24704 |
612364 |
1 |
OSN3C18H25 |
ABC3D18E25 |
-11.03 |
7.48 |
-9.54 |
-0.88 |
0 |
|
|
24705 |
612370 |
1 |
BrN4O4H17C20 |
AB4C4D17E20 |
32.15 |
5.92 |
-8.94 |
-1.88 |
0 |
|
|
24706 |
612371 |
1 |
BrNOC8H12 |
ABCD8E12 |
-24.52 |
4.8 |
-9.8 |
-0.22 |
0 |
|
|
24707 |
612373 |
1 |
OPF11C12 |
ABC11D12 |
-529.94 |
3.04 |
-10.93 |
-1.87 |
0 |
|
|
24708 |
612419 |
1 |
IC7F7 |
AB7C7 |
-277.23 |
1.04 |
-10.56 |
-2.46 |
0 |
|
|
24709 |
612448 |
1 |
BrO4C15H19 |
AB4C15D19 |
-175.45 |
1.02 |
-9.35 |
-0.95 |
0 |
|
|
24710 |
612508 |
1 |
C15F16 |
A15B16 |
-683.87 |
1.12 |
-10.95 |
-1.9 |
0 |
|
|
24711 |
612538 |
1 |
ON4C23H24 |
AB4C23D24 |
65.33 |
5.9 |
-8.39 |
-1.61 |
0 |
|
|
24712 |
612539 |
1 |
OSF3N3H18C20 |
ABC3D3E18F20 |
-145.65 |
8.83 |
-9.23 |
-1.12 |
0 |
|
|
24713 |
612540 |
1 |
FON2C14H15 |
ABC2D14E15 |
-33.55 |
1.96 |
-8.82 |
-0.84 |
0 |
|
|
24714 |
612541 |
1 |
IC9H11 |
AB9C11 |
20.43 |
2.43 |
-9.19 |
-0.72 |
0 |
|
|
24715 |
612567 |
1 |
PSH5F6C8 |
ABC5D6E8 |
-316.73 |
4.75 |
-9.46 |
-1.7 |
0 |
|
|
24716 |
612568 |
1 |
ClON2H19C24 |
ABC2D19E24 |
34.49 |
4.81 |
-8.9 |
-1.18 |
0 |
|
|
24717 |
612569 |
1 |
ClN3O3H16C23 |
AB3C3D16E23 |
38.93 |
6.16 |
-9.67 |
-1.44 |
0 |
|
|
24718 |
612596 |
1 |
ClN2O2H19C21 |
AB2C2D19E21 |
-23.81 |
1.15 |
-9.53 |
-1.16 |
0 |
|
|
24719 |
612598 |
1 |
Cl2N2Si4O11C30H54 |
A2B2C4D11E30F54 |
-611.94 |
4.76 |
-9.59 |
-1.56 |
0 |
|
|
24720 |
612599 |
1 |
PSF11C12 |
ABC11D12 |
-496.07 |
3.04 |
-9.84 |
-1.93 |
0 |
|
|
24721 |
612612 |
2 |
NO2C11H13 |
AB2C11D13 |
-140.04 |
2.09 |
-9.49 |
0.14 |
0 |
|
|
24722 |
612757 |
2 |
ON2C5H5 |
AB2C5D5 |
0.16 |
3.57 |
-9.91 |
-1.24 |
0 |
|
|
24723 |
612764 |
1 |
SN3O6C9H13 |
AB3C6D9E13 |
-259.91 |
4.61 |
-10.08 |
-1.23 |
0 |
|
|
24724 |
612765 |
1 |
ON4C11H14 |
AB4C11D14 |
31.19 |
2.26 |
-9.1 |
-0.45 |
0 |
|
|
24725 |
612771 |
2 |
OC9H15 |
AB9C15 |
-140.53 |
2.27 |
-8.91 |
1.45 |
0 |
|
|
24726 |
612774 |
1 |
NO3H13C18 |
AB3C13D18 |
17.5 |
3.38 |
-10.05 |
-0.42 |
0 |
|
|
24727 |
612776 |
1 |
Cl2O8H12C17 |
A2B8C12D17 |
-271.59 |
5.37 |
-9.39 |
-1.78 |
0 |
|
|
24728 |
612779 |
1 |
NO2C18H23 |
AB2C18D23 |
-10.25 |
2.93 |
-8.25 |
0.2 |
0 |
|
|
24729 |
612781 |
1 |
SN4C10H10 |
AB4C10D10 |
76.7 |
8.94 |
-8.41 |
-1.14 |
0 |
|
|
24730 |
612782 |
1 |
OC30H48 |
AB30C48 |
-117.49 |
3.66 |
-9.03 |
0.9 |
0 |
|
|
24731 |
612784 |
1 |
ON2C13H18 |
AB2C13D18 |
-26.57 |
1.7 |
-8.96 |
0.19 |
0 |
|
|
24732 |
612785 |
1 |
N2O3H10C11 |
A2B3C10D11 |
-10.77 |
6.29 |
-9.35 |
-1.76 |
0 |
|
|
24733 |
612799 |
1 |
ClN2H11C12 |
AB2C11D12 |
87.4 |
4.56 |
-8.76 |
-0.29 |
0 |
|
|
24734 |
612800 |
1 |
O4C15H16 |
A4B15C16 |
-132.81 |
1.53 |
-8.28 |
-0.16 |
0 |
|
|
24735 |
612801 |
2 |
OC15H24 |
AB15C24 |
-161.84 |
3.95 |
-8.89 |
0.65 |
0 |
|
|
24736 |
612819 |
1 |
OC31H52 |
AB31C52 |
-120.44 |
1.54 |
-8.88 |
1.68 |
0 |
|
|
24737 |
612835 |
1 |
NO3C13H15 |
AB3C13D15 |
-104.49 |
5.71 |
-8.86 |
-0.47 |
0 |
|
|
24738 |
612836 |
1 |
O2N3C12H15 |
A2B3C12D15 |
-32.24 |
2.15 |
-7.96 |
-0.6 |
0 |
|
|
24739 |
612837 |
1 |
SO2N3H9C10 |
AB2C3D9E10 |
-29.31 |
5.14 |
-8.68 |
-0.74 |
0 |
|
|
24740 |
612839 |
1 |
N4H10C15 |
A4B10C15 |
134.04 |
3.43 |
-9.29 |
-1.28 |
0 |
|
|
24741 |
612840 |
1 |
N4H10C15 |
A4B10C15 |
143.3 |
2.13 |
-8.56 |
-1.28 |
0 |
|
|
24742 |
612850 |
1 |
ClN2O2C13H13 |
AB2C2D13E13 |
-47.96 |
6.11 |
-9.2 |
-1.26 |
0 |
|
|
24743 |
612851 |
1 |
ClN2O2C13H13 |
AB2C2D13E13 |
-48.91 |
6.16 |
-9.16 |
-1.2 |
0 |
|
|
24744 |
612852 |
1 |
Cl2N2C13H14 |
A2B2C13D14 |
37.16 |
2.93 |
-8.76 |
-1.2 |
0 |
|
|
24745 |
612861 |
1 |
N2O5C24H34 |
A2B5C24D34 |
-143.37 |
5.73 |
-9.91 |
-1.74 |
0 |
|
|
24746 |
612879 |
1 |
PdP4C28H64 |
AB4C28D64 |
-122.4 |
0.99 |
-6.7 |
3.09 |
0 |
|
|
24747 |
612881 |
1 |
OC16H26 |
AB16C26 |
-75.48 |
0.93 |
-8.59 |
0.34 |
0 |
|
|
24748 |
612954 |
1 |
BN2C15H29 |
AB2C15D29 |
-46.59 |
2.42 |
-8.83 |
0.25 |
0 |
|
|
24749 |
612962 |
1 |
O2N3C11H13 |
A2B3C11D13 |
-62.88 |
2.8 |
-9.04 |
-1.01 |
0 |
|
|
24750 |
612976 |
1 |
SN3C11H13 |
AB3C11D13 |
53.5 |
4.09 |
-8.39 |
-0.86 |
0 |
|
|
24751 |
612978 |
1 |
SiO3C12H14 |
AB3C12D14 |
-145.0 |
5.64 |
-9.28 |
-1.0 |
0 |
|
|
24752 |
612987 |
1 |
N2O3C13H18 |
A2B3C13D18 |
-113.37 |
4.68 |
-9.38 |
-0.43 |
0 |
|
|
24753 |
613011 |
1 |
NO3C12H13 |
AB3C12D13 |
-64.85 |
4.73 |
-8.71 |
-0.61 |
0 |
|
|
24754 |
613012 |
1 |
NO2C13H17 |
AB2C13D17 |
-64.89 |
2.12 |
-7.88 |
0.2 |
0 |
|
|
24755 |
613088 |
1 |
N2O3C18H28 |
A2B3C18D28 |
-166.44 |
4.4 |
-8.81 |
0.84 |
0 |
|
|
24756 |
613090 |
2 |
NOH6C8 |
ABC6D8 |
-8.78 |
4.16 |
-8.59 |
-0.38 |
0 |
|
|
24757 |
613092 |
1 |
SN2O3C12H14 |
AB2C3D12E14 |
-100.4 |
5.39 |
-8.2 |
-1.0 |
0 |
|
|
24758 |
613096 |
1 |
FeCl2P2C19H42 |
AB2C2D19E42 |
-184.82 |
13.89 |
-7.06 |
0.95 |
0 |
|
|
24759 |
613124 |
1 |
NO6C21H25 |
AB6C21D25 |
-155.56 |
4.45 |
-8.74 |
0.0 |
0 |
|
|
24760 |
613128 |
1 |
IN2O3H11C16 |
AB2C3D11E16 |
-45.52 |
11.24 |
-8.44 |
-1.09 |
0 |
|
|
24761 |
613132 |
1 |
NO2C30H45 |
AB2C30D45 |
-112.14 |
4.08 |
-8.49 |
0.25 |
0 |
|
|
24762 |
613139 |
1 |
SN3C15H23 |
AB3C15D23 |
31.64 |
2.36 |
-8.72 |
-0.23 |
0 |
|
|
24763 |
613140 |
1 |
SN4C10H12 |
AB4C10D12 |
92.55 |
2.58 |
-8.33 |
-1.33 |
0 |
|
|
24764 |
613188 |
1 |
N2H12C15 |
A2B12C15 |
94.6 |
4.04 |
-9.0 |
-0.98 |
0 |
|
|
24765 |
613196 |
1 |
NF2O3H17C18 |
AB2C3D17E18 |
-191.5 |
6.67 |
-8.98 |
-0.64 |
0 |
|
|
24766 |
613198 |
1 |
H16C17 |
A16B17 |
120.03 |
2.13 |
-7.63 |
-0.57 |
0 |
|
|
24767 |
613201 |
1 |
NO7C21H33 |
AB7C21D33 |
-310.8 |
5.39 |
-8.95 |
-0.18 |
0 |
|
|
24768 |
613301 |
1 |
F2N3H9C11 |
A2B3C9D11 |
-31.91 |
2.51 |
-8.99 |
-1.0 |
0 |
|
|
24771 |
613318 |
1 |
C19H20 |
A19B20 |
50.54 |
1.49 |
-8.6 |
0.4 |
0 |
|
|
24772 |
613319 |
1 |
NF3O3H18C19 |
AB3C3D18E19 |
-261.93 |
9.98 |
-9.06 |
-0.72 |
0 |
|
|
24773 |
613321 |
1 |
ClON2F3H6C10 |
ABC2D3E6F10 |
-165.66 |
3.74 |
-9.68 |
-1.53 |
0 |
|
|
24774 |
613322 |
1 |
Cl2N2O2C11H14 |
A2B2C2D11E14 |
-95.21 |
3.49 |
-9.55 |
-0.7 |
0 |
|
|
24775 |
613324 |
1 |
NBr2H7C10 |
AB2C7D10 |
40.35 |
3.67 |
-9.61 |
-1.26 |
0 |
|
|
24776 |
613335 |
1 |
NC21H23 |
AB21C23 |
66.44 |
3.09 |
-9.23 |
0.13 |
0 |
|
|
24778 |
613372 |
1 |
ClN3C13H16 |
AB3C13D16 |
25.29 |
3.21 |
-8.73 |
-0.63 |
0 |
|
|
24779 |
613375 |
1 |
NSO4H9C11 |
ABC4D9E11 |
-101.9 |
2.64 |
-9.21 |
-1.57 |
0 |