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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
151789 |
56310591 |
1 |
ClN2O2C21H25 |
AB2C2D21E25 |
-33.54 |
6.72 |
-8.53 |
-0.16 |
0 |
|
|
151790 |
56310592 |
1 |
N3O3C21H25 |
A3B3C21D25 |
5.53 |
8.44 |
-9.09 |
-1.27 |
0 |
|
|
151791 |
56310593 |
1 |
O3N5C22H31 |
A3B5C22D31 |
-80.99 |
3.71 |
-8.67 |
-0.1 |
0 |
|
|
151792 |
56310594 |
1 |
N3O5C22H27 |
A3B5C22D27 |
-93.2 |
6.49 |
-8.65 |
-1.18 |
0 |
|
|
151793 |
56310599 |
1 |
ClO3N4C23H25 |
AB3C4D23E25 |
-40.61 |
5.61 |
-8.56 |
-1.1 |
0 |
|
|
151794 |
56310600 |
1 |
O3N4C24H28 |
A3B4C24D28 |
-29.26 |
2.79 |
-8.68 |
-0.69 |
0 |
|
|
151795 |
56310601 |
1 |
ClN3O3C24H30 |
AB3C3D24E30 |
-109.45 |
6.42 |
-8.74 |
-0.26 |
0 |
|
|
151796 |
56310602 |
1 |
N3O3C24H31 |
A3B3C24D31 |
-101.28 |
4.17 |
-8.67 |
-0.14 |
0 |
|
|
151797 |
56310603 |
1 |
N3O4C24H31 |
A3B4C24D31 |
-133.68 |
5.68 |
-8.55 |
-0.09 |
0 |
|
|
151798 |
56310604 |
1 |
N3O4C23H29 |
A3B4C23D29 |
-134.3 |
3.6 |
-8.76 |
-0.39 |
0 |
|
|
151799 |
56310608 |
1 |
O2N6C25H26 |
A2B6C25D26 |
38.12 |
5.18 |
-9.4 |
-0.84 |
0 |
|
|
151800 |
56310609 |
1 |
OF3N6C22H23 |
AB3C6D22E23 |
-86.19 |
2.18 |
-9.4 |
-1.52 |
0 |
|
|
151801 |
56310610 |
1 |
O2N3C27H29 |
A2B3C27D29 |
-21.67 |
3.89 |
-8.93 |
-0.5 |
0 |
|
|
151802 |
56310611 |
1 |
N2O3C23H30 |
A2B3C23D30 |
-86.17 |
4.21 |
-8.88 |
0.2 |
0 |
|
|
151803 |
56310612 |
1 |
FN2O2C21H25 |
AB2C2D21E25 |
-96.86 |
2.66 |
-8.96 |
-0.08 |
0 |
|
|
151804 |
56310613 |
1 |
O2N4C27H36 |
A2B4C27D36 |
-39.75 |
3.53 |
-8.97 |
0.0 |
0 |
|
|
151805 |
56310614 |
2 |
ON2C13H17 |
AB2C13D17 |
-60.61 |
2.93 |
-7.85 |
0.19 |
0 |
|
|
151806 |
56310616 |
1 |
O3N4C24H28 |
A3B4C24D28 |
-20.2 |
5.06 |
-9.02 |
-0.43 |
0 |
|
|
151807 |
56310617 |
1 |
SO2N4C24H28 |
AB2C4D24E28 |
-28.46 |
1.92 |
-8.71 |
-0.73 |
0 |
|
|
151808 |
56310618 |
1 |
SO3N4C21H26 |
AB3C4D21E26 |
-100.58 |
4.2 |
-8.87 |
-0.62 |
0 |
|
|
151809 |
56310619 |
1 |
N4O5C24H30 |
A4B5C24D30 |
-142.74 |
7.02 |
-8.81 |
-0.5 |
0 |
|
|
151810 |
56310620 |
1 |
O2N5C27H35 |
A2B5C27D35 |
-48.74 |
6.2 |
-8.81 |
0.14 |
0 |
|
|
151811 |
56310621 |
1 |
F2N3O5C22H25 |
A2B3C5D22E25 |
-194.25 |
6.62 |
-9.13 |
-1.16 |
0 |
|
|
151812 |
56310622 |
1 |
ClO2N4C21H25 |
AB2C4D21E25 |
-49.33 |
2.29 |
-9.24 |
-0.73 |
0 |
|
|
151813 |
56310623 |
1 |
N3O4C26H31 |
A3B4C26D31 |
-134.29 |
1.57 |
-8.37 |
-0.1 |
0 |
|
|
151814 |
56310625 |
1 |
N3O4C25H33 |
A3B4C25D33 |
-132.16 |
7.16 |
-8.48 |
0.04 |
0 |
|
|
151815 |
56310626 |
1 |
ClN3O3C23H28 |
AB3C3D23E28 |
-101.08 |
3.01 |
-8.43 |
-0.21 |
0 |
|
|
151816 |
56310627 |
1 |
O3N4C24H38 |
A3B4C24D38 |
-133.96 |
4.07 |
-8.77 |
0.1 |
0 |
|
|
151817 |
56310628 |
1 |
ClO2N4C22H23 |
AB2C4D22E23 |
-27.86 |
5.16 |
-8.92 |
-1.3 |
0 |
|
|
151818 |
56310631 |
1 |
ClO2N4C22H23 |
AB2C4D22E23 |
15.31 |
5.64 |
-9.23 |
-0.97 |
0 |
|
|
151819 |
56310632 |
1 |
SN3O4C24H35 |
AB3C4D24E35 |
-171.73 |
6.7 |
-9.13 |
0.37 |
0 |
|
|
151820 |
56310633 |
2 |
N2O2C11H13 |
A2B2C11D13 |
-58.34 |
4.63 |
-9.29 |
-1.28 |
0 |
|
|
151821 |
56310634 |
1 |
F2N3O3C22H25 |
A2B3C3D22E25 |
-195.21 |
2.07 |
-8.93 |
-0.44 |
0 |
|
|
151822 |
56310635 |
1 |
O2N3C22H33 |
A2B3C22D33 |
-99.86 |
2.69 |
-9.04 |
0.26 |
0 |
|
|
151823 |
56310636 |
1 |
ClN3O3C22H26 |
AB3C3D22E26 |
-96.84 |
6.9 |
-8.61 |
-0.28 |
0 |
|
|
151824 |
56310637 |
1 |
O3N4C28H30 |
A3B4C28D30 |
-65.85 |
4.14 |
-9.0 |
-0.73 |
0 |
|
|
151825 |
56310638 |
1 |
SN4O4C22H28 |
AB4C4D22E28 |
-130.57 |
4.9 |
-9.33 |
-0.75 |
0 |
|
|
151826 |
56310639 |
1 |
O2N3C27H37 |
A2B3C27D37 |
-79.04 |
2.0 |
-8.98 |
0.25 |
0 |
|
|
151827 |
56310640 |
1 |
O2N3C23H29 |
A2B3C23D29 |
-67.48 |
3.89 |
-8.51 |
0.1 |
0 |
|
|
151828 |
56310641 |
1 |
O4N5C22H23 |
A4B5C22D23 |
7.94 |
3.64 |
-9.32 |
-2.07 |
0 |
|
|
151829 |
56310642 |
1 |
ClN2O3C22H25 |
AB2C3D22E25 |
-96.66 |
4.87 |
-8.74 |
-0.48 |
0 |
|
|
151830 |
56310643 |
1 |
N3O4C23H27 |
A3B4C23D27 |
-117.09 |
1.5 |
-8.46 |
-0.2 |
0 |
|
|
151831 |
56310644 |
1 |
O2N3C28H31 |
A2B3C28D31 |
-25.85 |
3.34 |
-8.92 |
-0.12 |
0 |
|
|
151832 |
56310645 |
2 |
N2O2C11H13 |
A2B2C11D13 |
-58.37 |
10.05 |
-9.34 |
-1.29 |
0 |
|
|
151833 |
56310646 |
1 |
SO2N4C25H28 |
AB2C4D25E28 |
-19.74 |
2.69 |
-8.85 |
-0.69 |
0 |
|
|
151834 |
56310647 |
1 |
ClN4O4C21H23 |
AB4C4D21E23 |
-55.45 |
6.26 |
-9.35 |
-1.39 |
0 |
|
|
151835 |
56310649 |
1 |
FO2N4C20H29 |
AB2C4D20E29 |
-113.13 |
2.67 |
-8.88 |
0.08 |
0 |
|
|
151836 |
56310650 |
1 |
FON3C25H32 |
ABC3D25E32 |
-41.13 |
3.12 |
-8.83 |
0.05 |
0 |
|
|
151837 |
56310651 |
1 |
FON3C21H32 |
ABC3D21E32 |
-86.85 |
4.85 |
-8.53 |
0.25 |
0 |
|
|
151838 |
56310655 |
1 |
FO2N3C22H28 |
AB2C3D22E28 |
-81.53 |
3.23 |
-8.84 |
0.03 |
0 |
|
|
151839 |
56310656 |
1 |
NF2O3C22H27 |
AB2C3D22E27 |
-203.94 |
7.35 |
-8.75 |
-0.07 |
0 |
|
|
151840 |
56310657 |
1 |
O2N5C24H33 |
A2B5C24D33 |
-32.87 |
4.75 |
-8.66 |
-0.29 |
0 |
|
|
151841 |
56310658 |
1 |
N3O3C26H35 |
A3B3C26D35 |
-86.38 |
1.33 |
-7.91 |
0.2 |
0 |
|
|
151842 |
56310659 |
2 |
NOC12H16 |
ABC12D16 |
-72.53 |
2.3 |
-8.45 |
0.2 |
0 |
|
|
151843 |
56310660 |
1 |
SN3O4C22H29 |
AB3C4D22E29 |
-124.93 |
9.85 |
-8.7 |
-0.61 |
0 |
|
|
151844 |
56310661 |
1 |
ClO2N3C20H24 |
AB2C3D20E24 |
-48.32 |
3.93 |
-8.77 |
-0.58 |
0 |
|
|
151845 |
56310662 |
1 |
NO4C24H27 |
AB4C24D27 |
-124.62 |
5.16 |
-8.73 |
-0.87 |
0 |
|
|
151846 |
56310663 |
1 |
N2O4C23H28 |
A2B4C23D28 |
-120.74 |
4.48 |
-8.32 |
-0.04 |
0 |
|
|
151847 |
56310664 |
1 |
N3O3C23H29 |
A3B3C23D29 |
-96.21 |
6.5 |
-8.71 |
-0.47 |
0 |
|
|
151848 |
56310665 |
2 |
N2O2C13H17 |
A2B2C13D17 |
-123.94 |
3.42 |
-8.7 |
-0.41 |
0 |
|
|
151849 |
56310667 |
1 |
SN3O5C22H29 |
AB3C5D22E29 |
-146.84 |
7.11 |
-8.6 |
-0.51 |
0 |
|
|
151850 |
56310668 |
1 |
FO2N3C23H24 |
AB2C3D23E24 |
-60.15 |
5.67 |
-8.23 |
-1.11 |
0 |
|
|
151851 |
56310669 |
1 |
O3N4C28H38 |
A3B4C28D38 |
-97.42 |
5.75 |
-8.52 |
-0.28 |
0 |
|
|
151852 |
56310670 |
1 |
N3O5C26H35 |
A3B5C26D35 |
-169.38 |
5.45 |
-8.32 |
-0.23 |
0 |
|
|
151853 |
56310671 |
1 |
N4O6C25H30 |
A4B6C25D30 |
-202.47 |
5.33 |
-8.38 |
-0.41 |
0 |
|
|
151854 |
56310672 |
1 |
FN2O4C22H27 |
AB2C4D22E27 |
-172.5 |
3.32 |
-8.58 |
-0.34 |
0 |
|
|
151855 |
56310673 |
1 |
O2N4C23H24 |
A2B4C23D24 |
13.48 |
9.93 |
-8.29 |
-1.01 |
0 |
|
|
151856 |
56310674 |
2 |
N2O2C11H13 |
A2B2C11D13 |
-96.33 |
3.98 |
-8.59 |
-0.56 |
0 |
|
|
151857 |
56310675 |
1 |
N4O5C22H26 |
A4B5C22D26 |
-83.3 |
5.95 |
-8.7 |
-1.37 |
0 |
|
|
151858 |
56310676 |
1 |
N3O3C24H31 |
A3B3C24D31 |
-91.67 |
7.25 |
-8.44 |
-0.22 |
0 |
|
|
151859 |
56310677 |
2 |
N2O2C12H15 |
A2B2C12D15 |
-118.88 |
7.4 |
-8.45 |
-0.27 |
0 |
|
|
151860 |
56310678 |
1 |
F3N4O4C18H23 |
A3B4C4D18E23 |
-315.84 |
2.26 |
-8.81 |
-0.5 |
0 |
|
|
151861 |
56310679 |
1 |
N3O4C24H31 |
A3B4C24D31 |
-127.42 |
4.16 |
-8.52 |
-0.31 |
0 |
|
|
151862 |
56310680 |
1 |
N3O5C25H33 |
A3B5C25D33 |
-163.95 |
7.38 |
-8.47 |
-0.24 |
0 |
|
|
151863 |
56310681 |
1 |
O4N6C25H34 |
A4B6C25D34 |
-139.6 |
2.79 |
-8.62 |
-0.66 |
0 |
|
|
151864 |
56310686 |
1 |
SO3N4C26H26 |
AB3C4D26E26 |
-39.3 |
3.56 |
-8.59 |
-1.24 |
0 |
|
|
151865 |
56310687 |
1 |
BrN3O3C22H26 |
AB3C3D22E26 |
-92.48 |
3.96 |
-8.56 |
-0.32 |
0 |
|
|
151866 |
56310688 |
1 |
N3O5C25H33 |
A3B5C25D33 |
-168.23 |
6.3 |
-8.44 |
-0.34 |
0 |
|
|
151867 |
56310689 |
1 |
N3O6C26H29 |
A3B6C26D29 |
-202.06 |
9.05 |
-8.58 |
-1.15 |
0 |
|
|
151868 |
56310690 |
1 |
N3O4C23H29 |
A3B4C23D29 |
-119.85 |
3.48 |
-8.55 |
-0.33 |
0 |
|
|
151869 |
56310691 |
1 |
O3N4C22H24 |
A3B4C22D24 |
-49.99 |
1.99 |
-8.69 |
-0.74 |
0 |
|
|
151870 |
56310692 |
1 |
SN4O5C23H30 |
AB4C5D23E30 |
-157.65 |
5.07 |
-8.66 |
-0.67 |
0 |
|
|
151871 |
56310694 |
1 |
N5O6C22H25 |
A5B6C22D25 |
-101.74 |
6.69 |
-8.51 |
-1.74 |
0 |
|
|
151872 |
56310695 |
1 |
SN3O4C22H29 |
AB3C4D22E29 |
-116.55 |
6.17 |
-8.48 |
-0.65 |
0 |
|
|
151873 |
56310696 |
1 |
O3N4C23H32 |
A3B4C23D32 |
-89.07 |
7.21 |
-8.48 |
-0.25 |
0 |
|
|
151874 |
56310697 |
1 |
SN2O5C21H26 |
AB2C5D21E26 |
-159.9 |
2.31 |
-8.58 |
-0.42 |
0 |
|
|
151875 |
56310698 |
1 |
N3O3C24H31 |
A3B3C24D31 |
-94.78 |
5.94 |
-8.48 |
-0.25 |
0 |
|
|
151876 |
56310699 |
1 |
Cl2N2S2O3C16H18 |
A2B2C2D3E16F18 |
-59.82 |
3.93 |
-7.84 |
-1.31 |
0 |
|
|
151877 |
56310701 |
1 |
S2N3O4C19H25 |
A2B3C4D19E25 |
-111.78 |
6.34 |
-8.06 |
-0.99 |
0 |
|
|
151878 |
56310702 |
1 |
SN3O6C19H23 |
AB3C6D19E23 |
-107.62 |
8.33 |
-7.98 |
-1.41 |
0 |
|
|
151879 |
56310703 |
1 |
SN2O3C21H28 |
AB2C3D21E28 |
-84.35 |
5.74 |
-7.78 |
-0.5 |
0 |
|
|
151880 |
56310704 |
1 |
SN2O3C21H28 |
AB2C3D21E28 |
-84.48 |
5.74 |
-7.83 |
-0.5 |
0 |
|
|
151881 |
56310705 |
1 |
O2S2N3C22H23 |
A2B2C3D22E23 |
-10.55 |
5.3 |
-8.29 |
-0.91 |
0 |
|
|
151882 |
56310706 |
1 |
SN4O4C24H32 |
AB4C4D24E32 |
-140.74 |
4.92 |
-8.28 |
-0.88 |
0 |
|
|
151883 |
56310707 |
1 |
SO2N3C25H27 |
AB2C3D25E27 |
-17.7 |
6.13 |
-8.25 |
-0.8 |
0 |
|
|
151884 |
56310708 |
1 |
N3C21H25 |
A3B21C25 |
56.39 |
3.68 |
-8.75 |
-0.01 |
0 |
|
|
151885 |
56310709 |
1 |
SN3O3C24H27 |
AB3C3D24E27 |
-53.57 |
5.72 |
-8.26 |
-0.83 |
0 |
|
|
151886 |
56310710 |
1 |
SO3N5C22H25 |
AB3C5D22E25 |
-26.47 |
7.71 |
-8.19 |
-0.82 |
0 |
|
|
151887 |
56310711 |
1 |
SN3O3C18H23 |
AB3C3D18E23 |
-75.67 |
5.84 |
-8.35 |
-0.84 |
0 |
|
|
151888 |
56310712 |
1 |
SO3N4C24H30 |
AB3C4D24E30 |
-90.57 |
7.22 |
-8.35 |
-0.85 |
0 |