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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
152689 |
56311720 |
1 |
ClNSO3C18H20 |
ABCD3E18F20 |
-92.78 |
5.19 |
-8.79 |
-0.72 |
0 |
|
|
152690 |
56311721 |
1 |
ClNSO4C18H20 |
ABCD4E18F20 |
-119.59 |
8.93 |
-8.86 |
-0.72 |
0 |
|
|
152691 |
56311722 |
1 |
SN2F3O4C19H19 |
AB2C3D4E19F19 |
-267.44 |
6.22 |
-8.81 |
-1.25 |
0 |
|
|
152692 |
56311723 |
1 |
ClNSO3C18H20 |
ABCD3E18F20 |
-88.72 |
5.41 |
-8.71 |
-0.76 |
0 |
|
|
152693 |
56311724 |
1 |
NSF3O4C18H18 |
ABC3D4E18F18 |
-273.15 |
8.7 |
-8.89 |
-1.09 |
0 |
|
|
152694 |
56311725 |
1 |
ClFNSO3C17H17 |
ABCDE3F17G17 |
-121.22 |
7.12 |
-8.93 |
-1.01 |
0 |
|
|
152695 |
56311727 |
1 |
SO3N4C23H28 |
AB3C4D23E28 |
-67.88 |
3.32 |
-8.33 |
-0.86 |
0 |
|
|
152696 |
56311729 |
1 |
SO2N4H20C22 |
AB2C4D20E22 |
29.85 |
8.37 |
-8.45 |
-0.95 |
0 |
|
|
152697 |
56311731 |
1 |
SO2N4C26H26 |
AB2C4D26E26 |
4.53 |
7.23 |
-8.3 |
-0.92 |
0 |
|
|
152698 |
56311732 |
2 |
ON2C10H15 |
AB2C10D15 |
-77.77 |
2.89 |
-8.79 |
-0.06 |
0 |
|
|
152699 |
56311739 |
1 |
N2O2C23H26 |
A2B2C23D26 |
13.61 |
2.03 |
-8.72 |
-0.4 |
0 |
|
|
152700 |
56311740 |
1 |
SN2O2C21H28 |
AB2C2D21E28 |
-16.84 |
7.16 |
-9.04 |
-0.43 |
0 |
|
|
152701 |
56311741 |
1 |
O2N3C22H27 |
A2B3C22D27 |
-28.01 |
3.58 |
-8.82 |
-0.25 |
0 |
|
|
152702 |
56311742 |
1 |
N3O4C22H27 |
A3B4C22D27 |
-62.14 |
6.94 |
-8.56 |
-1.36 |
0 |
|
|
152703 |
56311743 |
1 |
FN3O3C23H28 |
AB3C3D23E28 |
-145.97 |
5.57 |
-8.49 |
-0.28 |
0 |
|
|
152704 |
56311744 |
1 |
ClN3O3C23H28 |
AB3C3D23E28 |
-105.72 |
2.3 |
-8.48 |
-0.35 |
0 |
|
|
152705 |
56311745 |
1 |
N3O4C25H31 |
A3B4C25D31 |
-143.13 |
5.46 |
-8.89 |
-0.66 |
0 |
|
|
152706 |
56311746 |
1 |
N4O4C23H34 |
A4B4C23D34 |
-177.48 |
6.01 |
-8.8 |
-0.22 |
0 |
|
|
152707 |
56311748 |
1 |
FN3O3C23H28 |
AB3C3D23E28 |
-147.66 |
6.78 |
-8.74 |
-0.38 |
0 |
|
|
152708 |
56311754 |
1 |
N4O5C22H26 |
A4B5C22D26 |
-98.34 |
3.77 |
-8.74 |
-1.43 |
0 |
|
|
152709 |
56311755 |
1 |
SN3O3C23H29 |
AB3C3D23E29 |
-91.36 |
5.93 |
-8.31 |
-0.23 |
0 |
|
|
152710 |
56311756 |
1 |
N2O2F3C22H25 |
A2B2C3D22E25 |
-206.99 |
2.5 |
-8.82 |
0.01 |
0 |
|
|
152711 |
56311763 |
1 |
O2N3C25H31 |
A2B3C25D31 |
-38.05 |
2.74 |
-9.04 |
0.13 |
0 |
|
|
152712 |
56311767 |
1 |
ClN3O4C23H28 |
AB3C4D23E28 |
-136.24 |
5.58 |
-8.21 |
-0.13 |
0 |
|
|
152713 |
56311768 |
1 |
O3N4C26H32 |
A3B4C26D32 |
-70.03 |
4.79 |
-9.05 |
-0.28 |
0 |
|
|
152714 |
56311769 |
2 |
O2N3C13H19 |
A2B3C13D19 |
-168.06 |
8.65 |
-8.8 |
-0.21 |
0 |
|
|
152715 |
56311770 |
1 |
FSO2N5C24H26 |
ABC2D5E24F26 |
-41.21 |
4.61 |
-9.31 |
-1.35 |
0 |
|
|
152716 |
56311772 |
1 |
ClFO2N3C22H25 |
ABC2D3E22F25 |
-102.55 |
4.09 |
-9.1 |
-0.63 |
0 |
|
|
152717 |
56311773 |
1 |
ClFO2N3C22H25 |
ABC2D3E22F25 |
-104.59 |
3.48 |
-9.09 |
-0.62 |
0 |
|
|
152718 |
56311775 |
1 |
SN3O4C21H31 |
AB3C4D21E31 |
-158.84 |
6.52 |
-9.07 |
0.3 |
0 |
|
|
152719 |
56311776 |
1 |
O2N3C26H35 |
A2B3C26D35 |
-66.73 |
6.75 |
-8.71 |
-0.09 |
0 |
|
|
152720 |
56311777 |
1 |
O2N3C25H33 |
A2B3C25D33 |
-60.35 |
4.82 |
-8.95 |
0.2 |
0 |
|
|
152721 |
56311778 |
1 |
BrO3N4C23H27 |
AB3C4D23E27 |
-123.09 |
5.99 |
-9.25 |
-0.09 |
0 |
|
|
152722 |
56311779 |
1 |
F2O3N4C23H26 |
A2B3C4D23E26 |
-186.96 |
6.54 |
-9.08 |
-0.39 |
0 |
|
|
152723 |
56311780 |
1 |
N3O3C24H31 |
A3B3C24D31 |
-101.33 |
1.76 |
-8.91 |
0.24 |
0 |
|
|
152724 |
56311781 |
1 |
O3N5C27H31 |
A3B5C27D31 |
-37.34 |
9.02 |
-9.02 |
-0.21 |
0 |
|
|
152725 |
56311783 |
1 |
N3O4C28H29 |
A3B4C28D29 |
-83.76 |
6.65 |
-8.42 |
-0.75 |
0 |
|
|
152726 |
56311785 |
1 |
Cl2O2N3C21H23 |
A2B2C3D21E23 |
-63.3 |
2.37 |
-9.13 |
-0.6 |
0 |
|
|
152727 |
56311786 |
1 |
O2Cl3N3C21H22 |
A2B3C3D21E22 |
-69.5 |
0.95 |
-9.19 |
-0.9 |
0 |
|
|
152728 |
56311787 |
1 |
Cl2O2N3C21H23 |
A2B2C3D21E23 |
-68.09 |
1.54 |
-9.15 |
-0.59 |
0 |
|
|
152729 |
56311788 |
1 |
ClFO2N3C21H23 |
ABC2D3E21F23 |
-101.27 |
0.71 |
-9.27 |
-0.61 |
0 |
|
|
152730 |
56311789 |
1 |
O2N3C25H33 |
A2B3C25D33 |
-77.08 |
5.46 |
-9.02 |
0.21 |
0 |
|
|
152731 |
56311790 |
1 |
ClSO2N4H25C26 |
ABC2D4E25F26 |
-13.29 |
5.57 |
-8.96 |
-1.01 |
0 |
|
|
152732 |
56311791 |
1 |
SN4O4C25H30 |
AB4C4D25E30 |
-137.35 |
1.77 |
-9.15 |
-1.51 |
0 |
|
|
152733 |
56311792 |
2 |
N2O2C11H13 |
A2B2C11D13 |
-55.93 |
10.24 |
-9.29 |
-1.32 |
0 |
|
|
152734 |
56311793 |
1 |
O3N4C23H28 |
A3B4C23D28 |
-95.63 |
5.83 |
-9.17 |
-0.54 |
0 |
|
|
152735 |
56311794 |
1 |
ClON2C20H23 |
ABC2D20E23 |
-15.31 |
2.51 |
-8.87 |
-0.37 |
0 |
|
|
152736 |
56311795 |
1 |
SF2O2N3C22H25 |
AB2C2D3E22F25 |
-153.04 |
4.45 |
-9.31 |
-0.81 |
0 |
|
|
152737 |
56311796 |
1 |
F2O2N3C22H27 |
A2B2C3D22E27 |
-128.74 |
5.3 |
-8.9 |
-0.17 |
0 |
|
|
152738 |
56311797 |
1 |
FO2N4C24H31 |
AB2C4D24E31 |
-81.16 |
3.78 |
-8.0 |
-0.04 |
0 |
|
|
152739 |
56311798 |
1 |
ClON3F4C21H22 |
ABC3D4E21F22 |
-210.03 |
3.78 |
-9.02 |
-0.92 |
0 |
|
|
152740 |
56311799 |
1 |
FO2N4C19H25 |
AB2C4D19E25 |
-54.06 |
3.06 |
-8.89 |
0.1 |
0 |
|
|
152741 |
56311800 |
1 |
FON3C22H32 |
ABC3D22E32 |
-74.72 |
3.0 |
-8.83 |
0.08 |
0 |
|
|
152742 |
56311801 |
1 |
FO3N4C21H25 |
AB3C4D21E25 |
-50.7 |
6.76 |
-9.07 |
-1.17 |
0 |
|
|
152743 |
56311802 |
1 |
FOSN4C24H29 |
ABCD4E24F29 |
-26.12 |
6.84 |
-8.76 |
-0.52 |
0 |
|
|
152744 |
56311803 |
1 |
FO2N4C18H27 |
AB2C4D18E27 |
-128.25 |
3.35 |
-8.95 |
0.05 |
0 |
|
|
152745 |
56311804 |
1 |
SN2O3C18H22 |
AB2C3D18E22 |
-9.28 |
5.73 |
-8.73 |
-1.5 |
0 |
|
|
152746 |
56311805 |
1 |
O2N7C25H33 |
A2B7C25D33 |
5.97 |
4.75 |
-8.74 |
-0.52 |
0 |
|
|
152747 |
56311806 |
1 |
ClN2O4C23H27 |
AB2C4D23E27 |
-133.83 |
2.93 |
-8.38 |
-0.19 |
0 |
|
|
152748 |
56311808 |
1 |
O2N3C26H35 |
A2B3C26D35 |
-60.73 |
3.46 |
-7.7 |
0.19 |
0 |
|
|
152749 |
56311810 |
1 |
N2O4C23H28 |
A2B4C23D28 |
-136.65 |
2.08 |
-8.72 |
-0.58 |
0 |
|
|
152750 |
56311811 |
2 |
NOC11H14 |
ABC11D14 |
-61.5 |
3.61 |
-8.43 |
0.18 |
0 |
|
|
152751 |
56311812 |
2 |
NO2C11H13 |
AB2C11D13 |
-113.45 |
4.46 |
-8.26 |
-0.14 |
0 |
|
|
152752 |
56311814 |
1 |
SN3O5C20H27 |
AB3C5D20E27 |
-142.35 |
4.8 |
-8.69 |
-0.54 |
0 |
|
|
152753 |
56311815 |
1 |
FN3O3C22H26 |
AB3C3D22E26 |
-132.95 |
5.21 |
-8.48 |
-0.32 |
0 |
|
|
152754 |
56311816 |
1 |
FN3O3C23H24 |
AB3C3D23E24 |
-89.34 |
5.4 |
-8.41 |
-0.99 |
0 |
|
|
152755 |
56311817 |
1 |
N4O4C25H32 |
A4B4C25D32 |
-121.03 |
5.4 |
-8.13 |
-0.3 |
0 |
|
|
152756 |
56311818 |
1 |
SN3O3C23H29 |
AB3C3D23E29 |
-88.39 |
2.9 |
-8.4 |
-0.33 |
0 |
|
|
152757 |
56311819 |
1 |
ClN3O3C24H30 |
AB3C3D24E30 |
-110.6 |
6.17 |
-8.54 |
-0.29 |
0 |
|
|
152758 |
56311822 |
1 |
N3O5C25H33 |
A3B5C25D33 |
-170.74 |
6.1 |
-8.5 |
-0.28 |
0 |
|
|
152759 |
56311823 |
1 |
FN4O4C27H33 |
AB4C4D27E33 |
-158.8 |
4.58 |
-8.55 |
-0.96 |
0 |
|
|
152760 |
56311825 |
1 |
N3O6C24H31 |
A3B6C24D31 |
-197.19 |
2.55 |
-8.54 |
-0.35 |
0 |
|
|
152761 |
56311826 |
1 |
N3O4C23H29 |
A3B4C23D29 |
-125.81 |
4.66 |
-8.4 |
-0.26 |
0 |
|
|
152762 |
56311827 |
1 |
FN3O3C22H26 |
AB3C3D22E26 |
-134.76 |
6.37 |
-8.67 |
-0.39 |
0 |
|
|
152763 |
56311828 |
1 |
N4O6C25H30 |
A4B6C25D30 |
-204.92 |
2.59 |
-8.47 |
-0.41 |
0 |
|
|
152764 |
56311830 |
1 |
N5O5C21H29 |
A5B5C21D29 |
-175.51 |
5.09 |
-8.59 |
-0.49 |
0 |
|
|
152765 |
56311831 |
1 |
N5O5C26H31 |
A5B5C26D31 |
-141.67 |
4.63 |
-8.59 |
-0.58 |
0 |
|
|
152766 |
56311832 |
1 |
SO3N4C21H24 |
AB3C4D21E24 |
-21.93 |
7.65 |
-8.46 |
-1.35 |
0 |
|
|
152767 |
56311833 |
1 |
SN4O4C23H28 |
AB4C4D23E28 |
-133.28 |
6.66 |
-8.45 |
-0.81 |
0 |
|
|
152768 |
56311834 |
1 |
N4O4C27H34 |
A4B4C27D34 |
-144.3 |
7.13 |
-8.44 |
-0.57 |
0 |
|
|
152769 |
56311835 |
1 |
N4O5C23H28 |
A4B5C23D28 |
-166.46 |
3.71 |
-8.44 |
-0.4 |
0 |
|
|
152770 |
56311836 |
1 |
N3O5C23H27 |
A3B5C23D27 |
-167.61 |
0.91 |
-8.73 |
-0.76 |
0 |
|
|
152771 |
56311837 |
1 |
Cl2N3O3C21H23 |
A2B3C3D21E23 |
-96.96 |
1.61 |
-8.68 |
-0.63 |
0 |
|
|
152772 |
56311839 |
1 |
FN3O3C21H24 |
AB3C3D21E24 |
-128.85 |
5.14 |
-8.7 |
-0.42 |
0 |
|
|
152773 |
56311840 |
1 |
ClN3O3C23H28 |
AB3C3D23E28 |
-107.97 |
5.97 |
-8.5 |
-0.26 |
0 |
|
|
152774 |
56311841 |
1 |
N5O5C22H29 |
A5B5C22D29 |
-182.72 |
8.89 |
-8.13 |
-0.78 |
0 |
|
|
152775 |
56311842 |
1 |
BrN3O3C22H26 |
AB3C3D22E26 |
-87.97 |
3.26 |
-8.59 |
-0.39 |
0 |
|
|
152776 |
56311843 |
1 |
SN4O5C25H30 |
AB4C5D25E30 |
-174.76 |
2.12 |
-8.68 |
-1.48 |
0 |
|
|
152777 |
56311845 |
1 |
SN2O5C20H20 |
AB2C5D20E20 |
-139.46 |
5.19 |
-8.89 |
-1.81 |
0 |
|
|
152778 |
56311846 |
1 |
SN3O5C19H19 |
AB3C5D19E19 |
-161.06 |
4.72 |
-8.84 |
-1.3 |
0 |
|
|
152779 |
56311847 |
1 |
BrNSO5C19H22 |
ABCD5E19F22 |
-147.84 |
3.93 |
-8.6 |
-0.65 |
0 |
|
|
152780 |
56311848 |
1 |
ClSN2O5C19H19 |
ABC2D5E19F19 |
-152.05 |
5.96 |
-8.78 |
-1.28 |
0 |
|
|
152781 |
56311849 |
1 |
SN2O4C20H24 |
AB2C4D20E24 |
-130.54 |
6.81 |
-8.69 |
-0.57 |
0 |
|
|
152782 |
56311851 |
1 |
NSO7C21H23 |
ABC7D21E23 |
-235.79 |
3.53 |
-8.72 |
-1.42 |
0 |
|
|
152783 |
56311852 |
1 |
NSF3O3C18H18 |
ABC3D3E18F18 |
-230.86 |
6.11 |
-8.98 |
-1.36 |
0 |
|
|
152784 |
56311853 |
1 |
NSO7C21H23 |
ABC7D21E23 |
-239.92 |
3.57 |
-8.8 |
-1.29 |
0 |
|
|
152785 |
56311854 |
1 |
SN4O4C20H24 |
AB4C4D20E24 |
-106.35 |
7.95 |
-8.42 |
-0.99 |
0 |
|
|
152786 |
56311856 |
1 |
SO2N4C25H34 |
AB2C4D25E34 |
-47.69 |
7.28 |
-8.22 |
-0.82 |
0 |
|
|
152787 |
56311858 |
2 |
N2C11H12 |
A2B11C12 |
81.65 |
5.0 |
-8.4 |
-0.06 |
0 |
|
|
152788 |
56311859 |
1 |
SO2N3C20H25 |
AB2C3D20E25 |
-23.8 |
3.07 |
-8.88 |
-0.46 |
0 |