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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
31524 |
855822 |
1 |
SO2N3C15H19 |
AB2C3D15E19 |
-17.9 |
2.47 |
-8.83 |
-0.88 |
0 |
|
|
31525 |
855823 |
1 |
SN3C14H17 |
AB3C14D17 |
53.2 |
5.31 |
-8.44 |
-0.48 |
0 |
|
|
31526 |
855825 |
1 |
SN2O2C15H16 |
AB2C2D15E16 |
-49.37 |
3.89 |
-8.47 |
-0.8 |
0 |
|
|
31527 |
855826 |
1 |
N2O3C14H14 |
A2B3C14D14 |
-78.98 |
3.49 |
-8.63 |
-0.72 |
0 |
|
|
31528 |
855828 |
2 |
NOC10H12 |
ABC10D12 |
-74.63 |
4.37 |
-8.52 |
-0.34 |
0 |
|
|
31529 |
855829 |
1 |
SN2O2H14C15 |
AB2C2D14E15 |
-5.58 |
4.56 |
-8.74 |
-0.83 |
0 |
|
|
31530 |
855830 |
1 |
ClOSN2H11C14 |
ABCD2E11F14 |
25.05 |
3.37 |
-8.93 |
-0.98 |
0 |
|
|
31531 |
855832 |
1 |
SN3C15H21 |
AB3C15D21 |
11.16 |
5.78 |
-8.37 |
-0.45 |
0 |
|
|
31532 |
855835 |
1 |
OSN5C13H13 |
ABC5D13E13 |
60.09 |
5.12 |
-8.81 |
-1.94 |
0 |
|
|
31533 |
855836 |
1 |
SN4H16C18 |
AB4C16D18 |
125.5 |
4.03 |
-8.56 |
-1.7 |
0 |
|
|
31534 |
855839 |
1 |
SO2N4H12C13 |
AB2C4D12E13 |
15.54 |
9.56 |
-8.91 |
-2.12 |
0 |
|
|
31535 |
855840 |
1 |
SN4H16C18 |
AB4C16D18 |
125.87 |
3.93 |
-8.48 |
-1.69 |
0 |
|
|
31536 |
855841 |
1 |
SN5C18H23 |
AB5C18D23 |
96.09 |
5.97 |
-8.57 |
-1.76 |
0 |
|
|
31537 |
855843 |
1 |
SO2N4C14H14 |
AB2C4D14E14 |
9.71 |
9.81 |
-8.88 |
-2.09 |
0 |
|
|
31538 |
855844 |
1 |
SO2N4C14H14 |
AB2C4D14E14 |
12.15 |
3.79 |
-8.75 |
-1.9 |
0 |
|
|
31539 |
855845 |
1 |
SO2N4C14H14 |
AB2C4D14E14 |
8.75 |
8.86 |
-8.87 |
-2.07 |
0 |
|
|
31540 |
855846 |
1 |
SO2N4C16H18 |
AB2C4D16E18 |
3.21 |
5.5 |
-8.52 |
-1.71 |
0 |
|
|
31541 |
855847 |
1 |
BrNOSH14C15 |
ABCDE14F15 |
-0.4 |
3.56 |
-8.5 |
-0.71 |
0 |
|
|
31542 |
855848 |
1 |
BrNOSH12C13 |
ABCDE12F13 |
-2.28 |
3.25 |
-8.52 |
-0.39 |
0 |
|
|
31543 |
855850 |
1 |
OSN3C19H19 |
ABC3D19E19 |
22.2 |
4.02 |
-8.5 |
-0.77 |
0 |
|
|
31544 |
855852 |
1 |
N3C21H23 |
A3B21C23 |
78.68 |
3.92 |
-8.82 |
-0.39 |
0 |
|
|
31545 |
855854 |
1 |
O2N5C17H17 |
A2B5C17D17 |
45.26 |
1.18 |
-8.93 |
-0.67 |
0 |
|
|
31546 |
855855 |
1 |
O2N5C17H17 |
A2B5C17D17 |
39.02 |
6.55 |
-8.85 |
-0.78 |
0 |
|
|
31547 |
855856 |
1 |
O2N5C18H19 |
A2B5C18D19 |
31.79 |
2.27 |
-8.9 |
-0.75 |
0 |
|
|
31548 |
855857 |
1 |
O2N5C10H11 |
A2B5C10D11 |
20.73 |
3.63 |
-8.98 |
-0.73 |
0 |
|
|
31549 |
855858 |
1 |
O2N5H15C16 |
A2B5C15D16 |
48.25 |
6.4 |
-9.07 |
-0.84 |
0 |
|
|
31550 |
855860 |
3 |
NOC5H5 |
ABC5D5 |
-54.87 |
3.67 |
-9.12 |
-0.64 |
0 |
|
|
31551 |
855861 |
1 |
ClSN2O2H13C16 |
ABC2D2E13F16 |
11.72 |
3.42 |
-8.84 |
-0.86 |
0 |
|
|
31552 |
855862 |
1 |
SN2O3H12C16 |
AB2C3D12E16 |
-7.77 |
8.52 |
-8.89 |
-1.05 |
0 |
|
|
31553 |
855863 |
1 |
SN2O3C16H18 |
AB2C3D16E18 |
-62.13 |
6.26 |
-8.83 |
-0.95 |
0 |
|
|
31554 |
855864 |
1 |
SN3O3H15C17 |
AB3C3D15E17 |
-26.44 |
3.58 |
-8.95 |
-1.4 |
0 |
|
|
31555 |
855865 |
1 |
SN3O3H15C17 |
AB3C3D15E17 |
-28.56 |
2.9 |
-8.96 |
-1.34 |
0 |
|
|
31556 |
855866 |
1 |
OSN3C18H23 |
ABC3D18E23 |
-18.94 |
2.89 |
-8.88 |
-0.58 |
0 |
|
|
31557 |
855867 |
1 |
ClON5H12C15 |
ABC5D12E15 |
81.95 |
3.37 |
-9.31 |
-0.96 |
0 |
|
|
31558 |
855868 |
1 |
O2N5H15C17 |
A2B5C15D17 |
48.9 |
5.47 |
-9.42 |
-1.08 |
0 |
|
|
31559 |
855869 |
1 |
ClSN2O2H13C16 |
ABC2D2E13F16 |
13.06 |
4.79 |
-8.8 |
-0.85 |
0 |
|
|
31560 |
855870 |
1 |
SN2O4C17H20 |
AB2C4D17E20 |
-107.22 |
1.74 |
-8.9 |
-0.92 |
0 |
|
|
31561 |
855872 |
1 |
ClOSN3C15H16 |
ABCD3E15F16 |
-14.86 |
4.44 |
-8.88 |
-0.78 |
0 |
|
|
31562 |
855874 |
1 |
SO2N3H17C18 |
AB2C3D17E18 |
10.85 |
4.59 |
-8.76 |
-0.65 |
0 |
|
|
31563 |
855875 |
1 |
FSN3O3H12C16 |
ABC3D3E12F16 |
-65.63 |
3.9 |
-9.2 |
-1.38 |
0 |
|
|
31564 |
855876 |
1 |
SN3O4H11C15 |
AB3C4D11E15 |
14.93 |
3.97 |
-9.4 |
-1.76 |
0 |
|
|
31565 |
855877 |
1 |
SN3O3H15C17 |
AB3C3D15E17 |
-30.14 |
1.89 |
-8.65 |
-1.41 |
0 |
|
|
31566 |
855878 |
1 |
ClSN2O2H11C15 |
ABC2D2E11F15 |
9.41 |
1.21 |
-9.19 |
-1.16 |
0 |
|
|
31567 |
855879 |
1 |
ClSN2O2H11C15 |
ABC2D2E11F15 |
10.6 |
3.35 |
-9.12 |
-1.11 |
0 |
|
|
31568 |
855880 |
2 |
NOH10C11 |
ABC10D11 |
-16.26 |
3.73 |
-8.51 |
-0.49 |
0 |
|
|
31569 |
855882 |
1 |
SN2O2H14C16 |
AB2C2D14E16 |
7.94 |
2.06 |
-8.84 |
-0.89 |
0 |
|
|
31570 |
855883 |
1 |
SN2O4C16H18 |
AB2C4D16E18 |
-111.1 |
2.69 |
-9.07 |
-1.1 |
0 |
|
|
31571 |
855884 |
2 |
NOH8C9 |
ABC8D9 |
-12.65 |
4.53 |
-8.86 |
-0.81 |
0 |
|
|
31572 |
855885 |
1 |
SN2O2C15H16 |
AB2C2D15E16 |
-49.12 |
0.95 |
-8.26 |
-0.86 |
0 |
|
|
31573 |
855887 |
1 |
SN2O2C16H18 |
AB2C2D16E18 |
-52.04 |
3.15 |
-8.49 |
-0.79 |
0 |
|
|
31574 |
855889 |
1 |
ClON4C18H19 |
ABC4D18E19 |
62.95 |
9.65 |
-9.39 |
-1.05 |
0 |
|
|
31575 |
855890 |
1 |
ClN4H13C15 |
AB4C13D15 |
104.3 |
6.39 |
-9.63 |
-1.12 |
0 |
|
|
31576 |
855891 |
1 |
ClN4C18H19 |
AB4C18D19 |
89.23 |
8.69 |
-9.61 |
-1.1 |
0 |
|
|
31577 |
855894 |
1 |
ClN4C18H19 |
AB4C18D19 |
90.05 |
6.51 |
-9.62 |
-1.1 |
0 |
|
|
31578 |
855895 |
1 |
OSN5H9C11 |
ABC5D9E11 |
110.44 |
6.63 |
-8.97 |
-1.68 |
0 |
|
|
31579 |
855896 |
1 |
ClN4C18H19 |
AB4C18D19 |
90.95 |
7.36 |
-9.66 |
-1.09 |
0 |
|
|
31580 |
855898 |
1 |
ClN4H11C14 |
AB4C11D14 |
114.96 |
5.84 |
-9.78 |
-1.19 |
0 |
|
|
31581 |
855899 |
1 |
ClN4H13C15 |
AB4C13D15 |
103.32 |
7.25 |
-9.62 |
-1.11 |
0 |
|
|
31582 |
855900 |
1 |
ClN4H11C14 |
AB4C11D14 |
115.85 |
6.49 |
-9.95 |
-1.19 |
0 |
|
|
31583 |
855901 |
1 |
OSN4H16C17 |
ABC4D16E17 |
49.26 |
8.61 |
-9.03 |
-0.92 |
0 |
|
|
31584 |
855902 |
1 |
OSN2C16H16 |
ABC2D16E16 |
44.17 |
4.55 |
-9.1 |
-1.25 |
0 |
|
|
31585 |
855903 |
1 |
NSO2H17C20 |
ABC2D17E20 |
-18.42 |
1.15 |
-8.48 |
-0.81 |
0 |
|
|
31586 |
855904 |
1 |
NSO3H15C18 |
ABC3D15E18 |
-38.51 |
1.52 |
-9.1 |
-0.67 |
0 |
|
|
31587 |
855905 |
1 |
NSO2C20H23 |
ABC2D20E23 |
-68.04 |
5.16 |
-8.41 |
-0.59 |
0 |
|
|
31588 |
855906 |
1 |
NOSC14H15 |
ABCD14E15 |
-11.8 |
4.19 |
-8.37 |
-0.34 |
0 |
|
|
31589 |
855908 |
1 |
ClNOSH14C15 |
ABCDE14F15 |
-12.51 |
3.56 |
-8.48 |
-0.66 |
0 |
|
|
31590 |
855909 |
1 |
O3N4H6C8 |
A3B4C6D8 |
-21.48 |
1.97 |
-10.38 |
-2.07 |
0 |
|
|
31591 |
855910 |
1 |
ON5C10H11 |
AB5C10D11 |
48.02 |
11.09 |
-9.32 |
-1.04 |
0 |
|
|
31592 |
855911 |
1 |
SO2N4H8C12 |
AB2C4D8E12 |
63.95 |
5.91 |
-9.76 |
-1.47 |
0 |
|
|
31593 |
855912 |
1 |
F3N4H9C14 |
A3B4C9D14 |
-27.48 |
7.75 |
-10.17 |
-1.52 |
0 |
|
|
31594 |
855914 |
1 |
ClON2C17H17 |
ABC2D17E17 |
20.71 |
3.95 |
-8.88 |
-0.31 |
0 |
|
|
31595 |
855915 |
1 |
OSN5C15H15 |
ABC5D15E15 |
37.64 |
3.05 |
-8.86 |
-1.45 |
0 |
|
|
31596 |
855916 |
1 |
N2O2C19H22 |
A2B2C19D22 |
-16.94 |
2.92 |
-8.16 |
-0.12 |
0 |
|
|
31597 |
855917 |
2 |
NOC10H14 |
ABC10D14 |
-93.1 |
8.88 |
-8.33 |
-0.19 |
0 |
|
|
31598 |
855918 |
2 |
NOC10H14 |
ABC10D14 |
-93.93 |
8.74 |
-8.34 |
-0.18 |
0 |
|
|
31599 |
855919 |
2 |
NOC10H14 |
ABC10D14 |
-93.12 |
8.63 |
-8.47 |
-0.28 |
0 |
|
|
31600 |
855920 |
2 |
NOC10H14 |
ABC10D14 |
-92.29 |
8.91 |
-8.33 |
-0.19 |
0 |
|
|
31601 |
855921 |
1 |
ClN4H13C15 |
AB4C13D15 |
105.18 |
7.19 |
-9.68 |
-1.08 |
0 |
|
|
31602 |
855922 |
1 |
ON3C20H31 |
AB3C20D31 |
-25.02 |
3.63 |
-7.95 |
0.4 |
0 |
|
|
31603 |
855924 |
1 |
ClON4H13C15 |
ABC4D13E15 |
44.74 |
1.0 |
-9.04 |
-0.9 |
0 |
|
|
31604 |
855925 |
1 |
ClN2O2C14H15 |
AB2C2D14E15 |
-47.37 |
5.09 |
-8.73 |
-0.09 |
0 |
|
|
31605 |
855926 |
1 |
ClON2C14H19 |
ABC2D14E19 |
-47.66 |
6.92 |
-8.77 |
-0.07 |
0 |
|
|
31606 |
855927 |
1 |
SN2O4C16H18 |
AB2C4D16E18 |
-106.91 |
2.55 |
-8.95 |
-0.97 |
0 |
|
|
31607 |
855928 |
1 |
FSO2N4H13C16 |
ABC2D4E13F16 |
-33.07 |
9.64 |
-8.87 |
-1.02 |
0 |
|
|
31608 |
855930 |
1 |
ClSN2O3C13H13 |
ABC2D3E13F13 |
-69.75 |
2.55 |
-9.18 |
-1.24 |
0 |
|
|
31609 |
855931 |
1 |
SN3H15C19 |
AB3C15D19 |
143.97 |
4.37 |
-8.01 |
-1.28 |
0 |
|
|
31610 |
855932 |
1 |
SN4H14C18 |
AB4C14D18 |
155.15 |
2.76 |
-8.27 |
-1.47 |
0 |
|
|
31611 |
855933 |
1 |
ClN4H13C19 |
AB4C13D19 |
150.31 |
3.29 |
-8.47 |
-1.62 |
0 |
|
|
31612 |
855934 |
1 |
N3H19C22 |
A3B19C22 |
109.38 |
7.78 |
-8.9 |
-0.6 |
0 |
|
|
31613 |
855935 |
1 |
N4H18C21 |
A4B18C21 |
119.93 |
8.37 |
-9.15 |
-0.84 |
0 |
|
|
31614 |
855936 |
1 |
N3H17C21 |
A3B17C21 |
120.28 |
7.0 |
-9.27 |
-0.68 |
0 |
|
|
31615 |
855939 |
4 |
NH4C5 |
AB4C5 |
150.6 |
2.86 |
-8.32 |
-1.43 |
0 |
|
|
31617 |
855941 |
1 |
SN4H12C17 |
AB4C12D17 |
164.85 |
1.74 |
-8.33 |
-1.55 |
0 |
|
|
31618 |
855942 |
1 |
N4H18C21 |
A4B18C21 |
140.65 |
2.64 |
-8.2 |
-1.33 |
0 |
|
|
31619 |
855944 |
1 |
ON5C19H21 |
AB5C19D21 |
60.54 |
11.41 |
-9.14 |
-0.96 |
0 |
|
|
31620 |
855945 |
4 |
NH4C5 |
AB4C5 |
130.14 |
7.58 |
-9.25 |
-0.92 |
0 |
|
|
31621 |
855946 |
1 |
SO2N5C15H15 |
AB2C5D15E15 |
39.54 |
1.99 |
-9.25 |
-1.01 |
0 |
|
|
31622 |
855947 |
1 |
ON3H15C19 |
AB3C15D19 |
91.32 |
7.53 |
-9.02 |
-0.78 |
0 |
|
|
31624 |
855950 |
4 |
NH4C5 |
AB4C5 |
130.29 |
7.81 |
-9.37 |
-0.88 |
0 |
|
|
31625 |
855951 |
1 |
SO2N4H14C16 |
AB2C4D14E16 |
30.63 |
5.77 |
-8.97 |
-0.98 |
0 |