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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
429016 |
135168670 |
2 |
NH26C42 |
AB26C42 |
368.46 |
1.05 |
-7.9 |
-0.67 |
0 |
|
|
429017 |
135168671 |
2 |
NH24C39 |
AB24C39 |
345.03 |
2.24 |
-8.02 |
-0.78 |
0 |
|
|
429018 |
135168672 |
2 |
NH24C39 |
AB24C39 |
347.72 |
1.12 |
-8.06 |
-0.6 |
0 |
|
|
429019 |
135168673 |
2 |
NH24C39 |
AB24C39 |
345.02 |
0.93 |
-8.04 |
-0.5 |
0 |
|
|
429020 |
135168674 |
2 |
NH24C39 |
AB24C39 |
344.95 |
0.72 |
-7.89 |
-0.65 |
0 |
|
|
429021 |
135168675 |
2 |
NH24C39 |
AB24C39 |
342.59 |
0.78 |
-7.87 |
-0.64 |
0 |
|
|
429022 |
135168676 |
2 |
NH24C39 |
AB24C39 |
346.07 |
0.81 |
-7.94 |
-0.76 |
0 |
|
|
429023 |
135168677 |
2 |
NH22C36 |
AB22C36 |
321.88 |
0.88 |
-8.03 |
-0.5 |
0 |
|
|
429024 |
135168678 |
2 |
NH25C41 |
AB25C41 |
359.97 |
1.45 |
-7.88 |
-0.75 |
0 |
|
|
429025 |
135168679 |
2 |
NH22C36 |
AB22C36 |
320.67 |
0.79 |
-7.95 |
-0.54 |
0 |
|
|
429026 |
135168680 |
2 |
NH25C41 |
AB25C41 |
361.64 |
1.63 |
-8.04 |
-0.64 |
0 |
|
|
429027 |
135168681 |
2 |
NH23C38 |
AB23C38 |
341.38 |
1.96 |
-7.92 |
-0.7 |
0 |
|
|
429028 |
135168682 |
2 |
NH23C38 |
AB23C38 |
338.26 |
1.56 |
-7.97 |
-0.75 |
0 |
|
|
429029 |
135168683 |
2 |
NH26C42 |
AB26C42 |
368.05 |
2.41 |
-8.03 |
-0.8 |
0 |
|
|
429030 |
135168684 |
1 |
N2H52C81 |
A2B52C81 |
333.6 |
1.49 |
-7.92 |
-0.7 |
0 |
|
|
429031 |
135168685 |
2 |
NH26C42 |
AB26C42 |
369.01 |
1.45 |
-8.1 |
-0.86 |
0 |
|
|
429032 |
135168686 |
1 |
N2H52C81 |
A2B52C81 |
331.39 |
1.18 |
-7.86 |
-0.72 |
0 |
|
|
429033 |
135168687 |
1 |
ON2H50C84 |
AB2C50D84 |
343.79 |
1.49 |
-8.03 |
-0.68 |
0 |
|
|
429034 |
135168688 |
1 |
ON2H52C84 |
AB2C52D84 |
340.53 |
1.52 |
-8.03 |
-0.69 |
0 |
|
|
429035 |
135168689 |
1 |
ON2H52C84 |
AB2C52D84 |
340.28 |
0.79 |
-8.06 |
-0.62 |
0 |
|
|
429036 |
135168690 |
2 |
NH25C39 |
AB25C39 |
340.28 |
1.47 |
-7.95 |
-0.84 |
0 |
|
|
429037 |
135168691 |
2 |
NH25C39 |
AB25C39 |
341.72 |
1.18 |
-8.07 |
-0.71 |
0 |
|
|
429038 |
135168692 |
2 |
NH25C39 |
AB25C39 |
342.18 |
1.39 |
-8.01 |
-0.76 |
0 |
|
|
429039 |
135168693 |
2 |
NH25C39 |
AB25C39 |
344.54 |
1.23 |
-8.06 |
-0.58 |
0 |
|
|
429040 |
135168703 |
1 |
N2H54C81 |
A2B54C81 |
328.37 |
0.97 |
-7.85 |
-0.69 |
0 |
|
|
429041 |
135168704 |
2 |
NH27C42 |
AB27C42 |
363.26 |
1.49 |
-8.02 |
-0.81 |
0 |
|
|
429042 |
135168705 |
1 |
N2H54C81 |
A2B54C81 |
330.75 |
2.14 |
-7.93 |
-0.61 |
0 |
|
|
429043 |
135168706 |
1 |
ON2H48C80 |
AB2C48D80 |
327.07 |
2.12 |
-7.92 |
-0.73 |
0 |
|
|
429044 |
135168707 |
1 |
ON2H52C84 |
AB2C52D84 |
339.99 |
1.88 |
-7.79 |
-0.85 |
0 |
|
|
429045 |
135168708 |
1 |
ON2H48C80 |
AB2C48D80 |
418.41 |
1.8 |
-8.0 |
-0.9 |
0 |
|
|
429046 |
135168709 |
1 |
ON2H52C84 |
AB2C52D84 |
339.33 |
1.38 |
-7.86 |
-0.89 |
0 |
|
|
429047 |
135168710 |
2 |
NH23C37 |
AB23C37 |
327.05 |
0.98 |
-7.96 |
-0.52 |
0 |
|
|
429048 |
135168711 |
2 |
NH25C40 |
AB25C40 |
352.91 |
1.21 |
-7.94 |
-0.54 |
0 |
|
|
429049 |
135168714 |
2 |
NH23C37 |
AB23C37 |
329.1 |
1.31 |
-8.04 |
-0.55 |
0 |
|
|
429050 |
135168717 |
2 |
NH24C39 |
AB24C39 |
495.84 |
7.33 |
-7.01 |
-1.88 |
0 |
|
|
429051 |
135168720 |
2 |
NH25C40 |
AB25C40 |
352.57 |
1.32 |
-8.06 |
-0.52 |
0 |
|
|
429052 |
135168721 |
2 |
NH25C40 |
AB25C40 |
350.8 |
1.16 |
-8.01 |
-0.58 |
0 |
|
|
429053 |
135168774 |
1 |
ON2H48C74 |
AB2C48D74 |
349.6 |
12.66 |
-6.76 |
-1.94 |
0 |
|
|
429054 |
135168775 |
1 |
ON2H48C74 |
AB2C48D74 |
297.19 |
2.04 |
-8.04 |
-0.65 |
0 |
|
|
429055 |
135168776 |
2 |
NH23C34 |
AB23C34 |
389.34 |
6.78 |
-6.53 |
-1.78 |
0 |
|
|
429056 |
135168777 |
2 |
NH23C34 |
AB23C34 |
301.85 |
2.37 |
-7.94 |
-0.46 |
0 |
|
|
429057 |
135168778 |
2 |
NH23C34 |
AB23C34 |
403.79 |
2.0 |
-8.28 |
-0.55 |
0 |
|
|
429058 |
135168779 |
2 |
NH23C34 |
AB23C34 |
299.65 |
2.29 |
-8.04 |
-0.5 |
0 |
|
|
429059 |
135168780 |
2 |
NH21C31 |
AB21C31 |
275.92 |
3.36 |
-7.98 |
-0.4 |
0 |
|
|
429060 |
135168781 |
2 |
NH23C34 |
AB23C34 |
303.65 |
0.94 |
-8.11 |
-0.45 |
0 |
|
|
429061 |
135168782 |
2 |
NH22C33 |
AB22C33 |
293.05 |
3.44 |
-7.93 |
-0.61 |
0 |
|
|
429062 |
135168783 |
2 |
NH24C36 |
AB24C36 |
316.44 |
2.05 |
-8.08 |
-0.47 |
0 |
|
|
429063 |
135168784 |
2 |
NH21C31 |
AB21C31 |
328.72 |
10.99 |
-6.72 |
-1.91 |
0 |
|
|
429064 |
135168785 |
2 |
NH23C34 |
AB23C34 |
300.21 |
2.41 |
-8.02 |
-0.52 |
0 |
|
|
429065 |
135168786 |
1 |
N2H50C71 |
A2B50C71 |
288.33 |
2.49 |
-8.01 |
-0.47 |
0 |
|
|
429066 |
135168787 |
2 |
NH24C36 |
AB24C36 |
421.13 |
7.83 |
-6.83 |
-1.55 |
0 |
|
|
429067 |
135168788 |
2 |
NH25C37 |
AB25C37 |
321.47 |
2.62 |
-8.04 |
-0.54 |
0 |
|
|
429068 |
135168789 |
1 |
ON2H46C74 |
AB2C46D74 |
301.1 |
3.43 |
-8.09 |
-0.58 |
0 |
|
|
429069 |
135168790 |
2 |
NH22C34 |
AB22C34 |
304.3 |
1.7 |
-8.15 |
-0.56 |
0 |
|
|
429070 |
135168791 |
2 |
NH20C31 |
AB20C31 |
276.65 |
1.85 |
-7.82 |
-0.52 |
0 |
|
|
429071 |
135168792 |
1 |
ON2H46C74 |
AB2C46D74 |
302.05 |
1.53 |
-7.97 |
-0.59 |
0 |
|
|
429072 |
135168793 |
2 |
NH22C34 |
AB22C34 |
305.85 |
1.0 |
-7.95 |
-0.55 |
0 |
|
|
429073 |
135168794 |
2 |
NH22C34 |
AB22C34 |
301.93 |
2.68 |
-7.92 |
-0.55 |
0 |
|
|
429074 |
135168795 |
2 |
NH23C36 |
AB23C36 |
319.94 |
2.77 |
-8.1 |
-0.56 |
0 |
|
|
429075 |
135168796 |
2 |
NH21C33 |
AB21C33 |
296.1 |
1.55 |
-7.91 |
-0.5 |
0 |
|
|
429076 |
135168797 |
2 |
NH24C37 |
AB24C37 |
325.77 |
0.87 |
-7.94 |
-0.52 |
0 |
|
|
429077 |
135168798 |
1 |
N2H48C71 |
A2B48C71 |
399.96 |
2.7 |
-7.91 |
-1.06 |
0 |
|
|
429078 |
135168799 |
1 |
ON2H46C74 |
AB2C46D74 |
300.27 |
3.32 |
-8.0 |
-0.56 |
0 |
|
|
429079 |
135168800 |
1 |
ON2H46C74 |
AB2C46D74 |
302.26 |
1.26 |
-7.97 |
-0.64 |
0 |
|
|
429080 |
135168801 |
2 |
NH22C34 |
AB22C34 |
301.36 |
1.47 |
-7.94 |
-0.44 |
0 |
|
|
429081 |
135168802 |
2 |
NH22C34 |
AB22C34 |
305.14 |
2.41 |
-7.97 |
-0.43 |
0 |
|
|
429082 |
135168803 |
2 |
NH23C36 |
AB23C36 |
318.76 |
2.01 |
-7.99 |
-0.49 |
0 |
|
|
429083 |
135168804 |
2 |
NH22C34 |
AB22C34 |
302.73 |
1.12 |
-7.91 |
-0.53 |
0 |
|
|
429084 |
135168805 |
2 |
NH20C31 |
AB20C31 |
283.95 |
1.32 |
-8.18 |
-0.55 |
0 |
|
|
429085 |
135168806 |
2 |
NH21C33 |
AB21C33 |
301.41 |
1.26 |
-8.23 |
-0.57 |
0 |
|
|
429086 |
135168807 |
2 |
NH24C37 |
AB24C37 |
453.53 |
2.07 |
-7.94 |
-0.65 |
0 |
|
|
429087 |
135168808 |
1 |
N2H48C71 |
A2B48C71 |
341.63 |
2.66 |
-7.93 |
-0.79 |
0 |
|
|
429088 |
135168809 |
1 |
ON2H48C74 |
AB2C48D74 |
442.71 |
3.79 |
-6.86 |
-2.32 |
0 |
|
|
429089 |
135168810 |
1 |
ON2H48C74 |
AB2C48D74 |
347.62 |
1.48 |
-8.0 |
-0.87 |
0 |
|
|
429090 |
135168811 |
2 |
NH23C34 |
AB23C34 |
428.87 |
1.77 |
-8.0 |
-0.82 |
0 |