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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
428641 |
135167830 |
1 |
NO2C20H39 |
AB2C20D39 |
-141.56 |
3.34 |
-8.52 |
2.23 |
0 |
|
|
428642 |
135167839 |
1 |
NS3C20H37 |
AB3C20D37 |
-20.52 |
3.46 |
-8.92 |
-1.34 |
0 |
|
|
428643 |
135167840 |
1 |
PO2S2C7H12 |
AB2C2D7E12 |
-84.44 |
5.65 |
0.0 |
0.0 |
0 |
|
|
428644 |
135167841 |
1 |
BrIO2C11H12 |
ABC2D11E12 |
-41.61 |
4.14 |
-9.09 |
-1.16 |
0 |
|
|
428645 |
135167842 |
1 |
BrN3O4C12H18 |
AB3C4D12E18 |
-94.35 |
5.42 |
-10.06 |
-1.01 |
0 |
|
|
428646 |
135167843 |
1 |
NOF2C14H19 |
ABC2D14E19 |
-140.87 |
1.8 |
-9.1 |
-0.08 |
0 |
|
|
428647 |
135167888 |
1 |
SN2H48C78 |
AB2C48D78 |
348.08 |
1.73 |
-7.94 |
-0.79 |
0 |
|
|
428648 |
135167899 |
2 |
NH24C38 |
AB24C38 |
334.24 |
0.83 |
-7.85 |
-0.81 |
0 |
|
|
428649 |
135167900 |
1 |
ON2H48C78 |
AB2C48D78 |
315.82 |
1.55 |
-7.86 |
-0.82 |
0 |
|
|
428650 |
135167901 |
1 |
N2H50C75 |
A2B50C75 |
307.34 |
1.25 |
-7.78 |
-0.7 |
0 |
|
|
428651 |
135167902 |
2 |
NH21C34 |
AB21C34 |
306.07 |
1.42 |
-8.04 |
-0.5 |
0 |
|
|
428652 |
135167903 |
2 |
NH21C34 |
AB21C34 |
307.91 |
2.15 |
-7.92 |
-0.52 |
0 |
|
|
428653 |
135167904 |
2 |
NH21C35 |
AB21C35 |
314.78 |
1.42 |
-8.0 |
-0.66 |
0 |
|
|
428654 |
135167905 |
2 |
NH21C35 |
AB21C35 |
312.66 |
1.38 |
-7.98 |
-0.63 |
0 |
|
|
428655 |
135167906 |
1 |
SN2H44C74 |
AB2C44D74 |
333.52 |
2.75 |
-8.08 |
-0.63 |
0 |
|
|
428656 |
135167907 |
1 |
SN2H44C74 |
AB2C44D74 |
421.9 |
2.83 |
-7.93 |
-0.68 |
0 |
|
|
428657 |
135167908 |
1 |
N3H49C80 |
A3B49C80 |
364.84 |
3.23 |
-8.01 |
-0.65 |
0 |
|
|
428658 |
135167909 |
2 |
NH21C34 |
AB21C34 |
304.21 |
1.78 |
-7.92 |
-0.61 |
0 |
|
|
428659 |
135167910 |
1 |
N3H49C80 |
A3B49C80 |
445.48 |
2.37 |
-8.06 |
-0.62 |
0 |
|
|
428660 |
135167911 |
2 |
NH21C34 |
AB21C34 |
305.37 |
1.88 |
-7.98 |
-0.53 |
0 |
|
|
428661 |
135167912 |
1 |
N3H45C74 |
A3B45C74 |
340.41 |
3.29 |
-7.74 |
-0.54 |
0 |
|
|
428662 |
135167913 |
2 |
NH22C36 |
AB22C36 |
321.56 |
0.7 |
-8.01 |
-0.58 |
0 |
|
|
428663 |
135167914 |
1 |
ON2H46C78 |
AB2C46D78 |
323.49 |
0.62 |
-8.01 |
-0.79 |
0 |
|
|
428664 |
135167915 |
3 |
NH17C28 |
AB17C28 |
381.28 |
1.42 |
-7.95 |
-0.83 |
0 |
|
|
428665 |
135167916 |
2 |
NH20C33 |
AB20C33 |
299.0 |
1.29 |
-7.96 |
-0.57 |
0 |
|
|
428666 |
135167917 |
2 |
NH23C38 |
AB23C38 |
339.44 |
0.56 |
-7.93 |
-0.81 |
0 |
|
|
428667 |
135167918 |
1 |
ON2H48C78 |
AB2C48D78 |
318.54 |
0.48 |
-7.94 |
-0.85 |
0 |
|
|
428668 |
135167919 |
2 |
NH22C37 |
AB22C37 |
325.47 |
0.74 |
-7.83 |
-0.66 |
0 |
|
|
428669 |
135167920 |
2 |
NH22C37 |
AB22C37 |
329.87 |
1.26 |
-7.93 |
-0.82 |
0 |
|
|
428670 |
135167921 |
1 |
N3H53C80 |
A3B53C80 |
345.32 |
2.19 |
-7.88 |
-0.58 |
0 |
|
|
428671 |
135167922 |
1 |
N3H53C84 |
A3B53C84 |
379.26 |
2.09 |
-7.96 |
-0.84 |
0 |
|
|
428672 |
135167923 |
1 |
N2H50C79 |
A2B50C79 |
345.57 |
0.79 |
-7.81 |
-0.79 |
0 |
|
|
428673 |
135167924 |
2 |
NH24C39 |
AB24C39 |
342.84 |
1.54 |
-7.95 |
-0.96 |
0 |
|
|
428674 |
135167925 |
2 |
NH23C36 |
AB23C36 |
322.06 |
0.74 |
-7.94 |
-0.82 |
0 |
|
|
428675 |
135167926 |
1 |
ON2H48C78 |
AB2C48D78 |
316.33 |
0.47 |
-7.85 |
-0.8 |
0 |
|
|
428676 |
135167927 |
2 |
NH23C36 |
AB23C36 |
319.93 |
0.95 |
-7.9 |
-0.88 |
0 |
|
|
428677 |
135167928 |
2 |
NH23C36 |
AB23C36 |
319.93 |
1.43 |
-7.84 |
-0.82 |
0 |
|
|
428678 |
135167929 |
1 |
N3H53C84 |
A3B53C84 |
379.17 |
1.11 |
-7.87 |
-0.83 |
0 |
|
|
428679 |
135167930 |
1 |
ON2H46C74 |
AB2C46D74 |
298.92 |
1.18 |
-7.88 |
-0.6 |
0 |
|
|
428680 |
135167931 |
2 |
NH23C37 |
AB23C37 |
324.96 |
0.73 |
-7.81 |
-0.83 |
0 |
|
|
428681 |
135167932 |
1 |
N3H49C80 |
A3B49C80 |
362.77 |
1.13 |
-7.97 |
-0.56 |
0 |
|
|
428682 |
135167933 |
2 |
NH22C34 |
AB22C34 |
302.52 |
1.48 |
-7.87 |
-0.5 |
0 |
|
|
428683 |
135167934 |
1 |
SN2H44C74 |
AB2C44D74 |
334.09 |
2.17 |
-8.04 |
-0.57 |
0 |
|
|
428684 |
135167935 |
2 |
NH23C37 |
AB23C37 |
333.01 |
1.26 |
-7.89 |
-0.8 |
0 |
|
|
428685 |
135167936 |
1 |
N3H51C80 |
A3B51C80 |
360.72 |
2.8 |
-8.06 |
-0.62 |
0 |
|
|
428686 |
135167937 |
2 |
NH22C37 |
AB22C37 |
331.8 |
2.2 |
-7.95 |
-0.82 |
0 |
|
|
428687 |
135167938 |
1 |
SN2H46C74 |
AB2C46D74 |
329.86 |
1.13 |
-7.91 |
-0.8 |
0 |
|
|
428688 |
135167939 |
1 |
N2H48C75 |
A2B48C75 |
311.21 |
1.64 |
-7.86 |
-0.78 |
0 |
|
|
428689 |
135167940 |
2 |
NH24C37 |
AB24C37 |
324.28 |
2.11 |
-7.89 |
-0.54 |
0 |
|
|
428690 |
135167941 |
2 |
NH24C38 |
AB24C38 |
343.26 |
0.9 |
-7.92 |
-0.49 |
0 |
|
|
428691 |
135167942 |
2 |
NH23C36 |
AB23C36 |
318.16 |
0.94 |
-7.87 |
-0.57 |
0 |
|
|
428692 |
135167943 |
2 |
NH22C35 |
AB22C35 |
314.56 |
0.83 |
-8.1 |
-0.55 |
0 |
|
|
428693 |
135167944 |
2 |
NH23C36 |
AB23C36 |
317.47 |
0.97 |
-7.82 |
-0.76 |
0 |
|
|
428694 |
135167945 |
1 |
ON2H46C74 |
AB2C46D74 |
300.33 |
3.01 |
-8.02 |
-0.61 |
0 |
|
|
428695 |
135167946 |
1 |
N3H51C80 |
A3B51C80 |
360.21 |
1.79 |
-8.01 |
-0.52 |
0 |
|
|
428696 |
135167947 |
2 |
NH22C35 |
AB22C35 |
310.55 |
0.68 |
-7.82 |
-0.81 |
0 |
|
|
428697 |
135167948 |
1 |
N3H53C84 |
A3B53C84 |
377.17 |
3.16 |
-7.79 |
-0.76 |
0 |
|
|
428698 |
135167953 |
2 |
NH23C37 |
AB23C37 |
330.12 |
1.95 |
-7.95 |
-0.92 |
0 |
|
|
428699 |
135167955 |
1 |
SN2H48C78 |
AB2C48D78 |
345.82 |
1.6 |
-7.83 |
-0.79 |
0 |
|
|
428700 |
135167960 |
1 |
ON2H44C74 |
AB2C44D74 |
306.83 |
2.38 |
-8.0 |
-0.68 |
0 |
|
|
428701 |
135167963 |
2 |
NH21C33 |
AB21C33 |
300.09 |
0.67 |
-8.02 |
-0.58 |
0 |
|
|
428702 |
135167964 |
2 |
NH23C38 |
AB23C38 |
338.37 |
0.93 |
-7.85 |
-0.77 |
0 |
|
|
428703 |
135167965 |
1 |
ON2H44C74 |
AB2C44D74 |
406.55 |
3.29 |
-7.45 |
-1.67 |
0 |
|
|
428704 |
135167966 |
1 |
N3H51C80 |
A3B51C80 |
360.5 |
1.61 |
-7.93 |
-0.48 |
0 |
|
|
428705 |
135167967 |
2 |
NH21C35 |
AB21C35 |
316.55 |
1.52 |
-7.89 |
-0.77 |
0 |
|
|
428706 |
135167968 |
1 |
SN2H46C78 |
AB2C46D78 |
349.12 |
1.26 |
-7.88 |
-0.76 |
0 |
|
|
428707 |
135167969 |
1 |
SN2H44C74 |
AB2C44D74 |
334.46 |
3.21 |
-8.06 |
-0.64 |
0 |
|
|
428708 |
135167970 |
1 |
N2H48C71 |
A2B48C71 |
290.81 |
1.38 |
-7.95 |
-0.53 |
0 |
|
|
428709 |
135168003 |
2 |
NH23C39 |
AB23C39 |
343.79 |
1.19 |
-7.92 |
-0.75 |
0 |
|
|
428710 |
135168024 |
2 |
NH22C37 |
AB22C37 |
327.41 |
0.34 |
-8.03 |
-0.57 |
0 |
|
|
428711 |
135168025 |
2 |
NH23C36 |
AB23C36 |
319.76 |
0.29 |
-7.9 |
-0.86 |
0 |
|
|
428712 |
135168026 |
2 |
NH23C37 |
AB23C37 |
327.97 |
1.48 |
-7.94 |
-0.62 |
0 |
|
|
428713 |
135168027 |
1 |
ON2H44C74 |
AB2C44D74 |
303.88 |
1.75 |
-8.07 |
-0.57 |
0 |
|
|
428714 |
135168028 |
1 |
SN2H48C78 |
AB2C48D78 |
348.05 |
1.4 |
-8.04 |
-0.88 |
0 |
|
|
428715 |
135168029 |
1 |
N2H46C71 |
A2B46C71 |
294.95 |
1.02 |
-7.95 |
-0.55 |
0 |