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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
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 |
|
|
428716 |
135168030 |
2 |
NH22C35 |
AB22C35 |
318.7 |
1.19 |
-7.89 |
-0.81 |
0 |
|
|
428717 |
135168031 |
1 |
N3H49C78 |
A3B49C78 |
355.26 |
1.64 |
-7.9 |
-0.94 |
0 |
|
|
428718 |
135168032 |
1 |
N3H49C80 |
A3B49C80 |
363.76 |
2.68 |
-8.03 |
-0.5 |
0 |
|
|
428719 |
135168033 |
1 |
ON2H48C78 |
AB2C48D78 |
318.21 |
1.88 |
-7.94 |
-0.85 |
0 |
|
|
428720 |
135168034 |
2 |
NH22C35 |
AB22C35 |
312.9 |
0.93 |
-7.94 |
-0.86 |
0 |
|
|
428721 |
135168035 |
1 |
SN2H48C78 |
AB2C48D78 |
347.42 |
1.93 |
-7.94 |
-0.85 |
0 |
|
|
428722 |
135168036 |
1 |
N2H46C71 |
A2B46C71 |
299.97 |
0.86 |
-7.9 |
-0.56 |
0 |
|
|
428723 |
135168037 |
1 |
ON2H48C78 |
AB2C48D78 |
318.13 |
1.24 |
-8.03 |
-0.87 |
0 |
|
|
428724 |
135168038 |
2 |
NH23C37 |
AB23C37 |
327.98 |
1.31 |
-7.93 |
-0.8 |
0 |
|
|
428725 |
135168039 |
1 |
ON2H44C74 |
AB2C44D74 |
305.78 |
2.86 |
-8.09 |
-0.62 |
0 |
|
|
428726 |
135168040 |
2 |
NH24C38 |
AB24C38 |
336.99 |
0.94 |
-7.91 |
-0.88 |
0 |
|
|
428727 |
135168041 |
2 |
NH25C39 |
AB25C39 |
344.44 |
0.51 |
-7.89 |
-0.79 |
0 |
|
|
428728 |
135168042 |
1 |
SN2H46C74 |
AB2C46D74 |
327.98 |
0.92 |
-7.86 |
-0.62 |
0 |
|
|
428729 |
135168043 |
1 |
ON2H46C78 |
AB2C46D78 |
323.69 |
1.87 |
-7.83 |
-0.84 |
0 |
|
|
428730 |
135168044 |
1 |
ON2H46C74 |
AB2C46D74 |
446.71 |
13.12 |
-6.67 |
-2.43 |
0 |
|
|
428731 |
135168045 |
3 |
NH17C28 |
AB17C28 |
382.87 |
1.38 |
-7.98 |
-0.96 |
0 |
|
|
428732 |
135168046 |
1 |
SN2H46C74 |
AB2C46D74 |
329.15 |
1.58 |
-8.04 |
-0.65 |
0 |
|
|
428733 |
135168047 |
2 |
NH20C33 |
AB20C33 |
300.57 |
0.97 |
-7.89 |
-0.87 |
0 |
|
|
428734 |
135168048 |
2 |
NH22C34 |
AB22C34 |
301.99 |
1.2 |
-8.01 |
-0.51 |
0 |
|
|
428735 |
135168049 |
2 |
NH23C38 |
AB23C38 |
340.6 |
0.51 |
-7.9 |
-0.89 |
0 |
|
|
428736 |
135168050 |
1 |
N2H52C81 |
A2B52C81 |
362.83 |
0.71 |
-8.03 |
-0.5 |
0 |
|
|
428737 |
135168051 |
3 |
NH17C28 |
AB17C28 |
381.56 |
1.36 |
-7.93 |
-0.79 |
0 |
|
|
428738 |
135168052 |
1 |
N2H52C81 |
A2B52C81 |
360.33 |
1.74 |
-7.96 |
-0.54 |
0 |
|
|
428739 |
135168053 |
1 |
N3H51C80 |
A3B51C80 |
360.18 |
2.29 |
-7.87 |
-0.51 |
0 |
|
|
428740 |
135168054 |
1 |
N2H50C81 |
A2B50C81 |
363.5 |
1.16 |
-7.83 |
-0.58 |
0 |
|
|
428741 |
135168055 |
2 |
NH25C39 |
AB25C39 |
342.9 |
1.11 |
-7.95 |
-0.86 |
0 |
|
|
428742 |
135168056 |
2 |
NH20C31 |
AB20C31 |
277.25 |
0.57 |
-7.84 |
-0.54 |
0 |
|
|
428743 |
135168057 |
2 |
NH22C37 |
AB22C37 |
334.63 |
0.35 |
-7.94 |
-0.77 |
0 |
|
|
428744 |
135168058 |
1 |
N2H50C75 |
A2B50C75 |
308.54 |
1.3 |
-7.87 |
-0.87 |
0 |
|
|
428745 |
135168059 |
1 |
N3H47C74 |
A3B47C74 |
338.58 |
2.57 |
-7.93 |
-0.63 |
0 |
|
|
428746 |
135168060 |
1 |
N2H50C75 |
A2B50C75 |
311.43 |
1.76 |
-7.95 |
-0.74 |
0 |
|
|
428747 |
135168061 |
1 |
ON2H46C74 |
AB2C46D74 |
401.35 |
0.98 |
-7.75 |
-1.04 |
0 |
|
|
428748 |
135168062 |
2 |
NH24C39 |
AB24C39 |
346.79 |
1.45 |
-8.02 |
-0.92 |
0 |
|
|
428749 |
135168063 |
1 |
SN2H46C74 |
AB2C46D74 |
329.28 |
2.14 |
-8.02 |
-0.59 |
0 |
|
|
428750 |
135168064 |
3 |
NH17C28 |
AB17C28 |
380.04 |
0.46 |
-7.85 |
-0.71 |
0 |
|
|
428751 |
135168065 |
1 |
SN2H46C74 |
AB2C46D74 |
328.3 |
2.25 |
-7.94 |
-0.64 |
0 |
|
|
428752 |
135168066 |
2 |
NH24C37 |
AB24C37 |
325.05 |
1.13 |
-8.01 |
-0.52 |
0 |
|
|
428753 |
135168067 |
1 |
N3H47C78 |
A3B47C78 |
358.12 |
1.56 |
-7.92 |
-0.86 |
0 |
|
|
428754 |
135168068 |
1 |
N3H51C80 |
A3B51C80 |
362.47 |
3.02 |
-7.98 |
-0.6 |
0 |
|
|
428755 |
135168069 |
1 |
N3H47C74 |
A3B47C74 |
336.35 |
1.82 |
-7.87 |
-0.55 |
0 |
|
|
428756 |
135168082 |
2 |
NH23C36 |
AB23C36 |
317.18 |
0.7 |
-7.91 |
-0.55 |
0 |
|
|
428757 |
135168087 |
1 |
ON2H46C78 |
AB2C46D78 |
326.49 |
2.91 |
-8.0 |
-0.87 |
0 |
|
|
428758 |
135168088 |
2 |
NH20C33 |
AB20C33 |
301.43 |
1.26 |
-8.07 |
-0.81 |
0 |
|
|
428759 |
135168089 |
1 |
ON2H46C78 |
AB2C46D78 |
321.88 |
2.09 |
-8.09 |
-0.95 |
0 |
|
|
428760 |
135168090 |
1 |
SN2H46C78 |
AB2C46D78 |
437.03 |
3.04 |
-7.75 |
-0.9 |
0 |
|
|
428761 |
135168093 |
1 |
N3H47C78 |
A3B47C78 |
391.19 |
1.11 |
-8.05 |
-1.23 |
0 |
|
|
428762 |
135168117 |
1 |
SN2H46C78 |
AB2C46D78 |
351.69 |
2.42 |
-8.09 |
-0.86 |
0 |
|
|
428763 |
135168119 |
3 |
NH17C28 |
AB17C28 |
383.66 |
2.98 |
-8.11 |
-0.87 |
0 |
|
|
428764 |
135168143 |
2 |
NH24C37 |
AB24C37 |
322.88 |
1.35 |
-7.91 |
-0.54 |
0 |
|
|
428765 |
135168144 |
2 |
NH22C36 |
AB22C36 |
323.39 |
1.06 |
-7.92 |
-0.9 |
0 |