List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
349585 |
127275737 |
1 |
N3O3C12H23 |
A3B3C12D23 |
-149.88 |
3.25 |
-9.31 |
0.82 |
0 |
|
|
349586 |
127275738 |
1 |
O2N4C15H24 |
A2B4C15D24 |
-70.14 |
6.78 |
-9.1 |
0.68 |
0 |
|
|
349587 |
127275739 |
1 |
N2O3C16H22 |
A2B3C16D22 |
-117.95 |
4.17 |
-8.69 |
0.33 |
0 |
|
|
349588 |
127275740 |
1 |
OSN5C18H29 |
ABC5D18E29 |
-15.63 |
3.15 |
-8.79 |
-0.44 |
0 |
|
|
349589 |
127275741 |
1 |
N3O3C21H29 |
A3B3C21D29 |
-107.29 |
2.1 |
-8.5 |
0.27 |
0 |
|
|
349590 |
127275742 |
3 |
NOC7H11 |
ABC7D11 |
-132.46 |
4.06 |
-8.76 |
0.12 |
0 |
|
|
349591 |
127275743 |
1 |
SN3O4C18H27 |
AB3C4D18E27 |
-157.35 |
1.69 |
-9.48 |
-0.74 |
0 |
|
|
349592 |
127275744 |
1 |
O2N5C14H23 |
A2B5C14D23 |
-65.37 |
4.4 |
-9.47 |
0.35 |
0 |
|
|
349593 |
127275745 |
1 |
N3O3C21H31 |
A3B3C21D31 |
-112.76 |
2.69 |
-8.56 |
0.27 |
0 |
|
|
349594 |
127275746 |
1 |
N2O3C14H26 |
A2B3C14D26 |
-159.19 |
2.58 |
-9.29 |
1.13 |
0 |
|
|
349595 |
127275747 |
2 |
NO2C10H14 |
AB2C10D14 |
-156.49 |
3.81 |
-8.54 |
0.31 |
0 |
|
|
349596 |
127275748 |
1 |
ClFN2O3C18H24 |
ABC2D3E18F24 |
-175.49 |
6.62 |
-9.33 |
-0.35 |
0 |
|
|
349597 |
127275749 |
1 |
F2N2O3C18H24 |
A2B2C3D18E24 |
-211.22 |
6.67 |
-9.36 |
-0.27 |
0 |
|
|
349598 |
127275750 |
1 |
N2O3C12H22 |
A2B3C12D22 |
-152.6 |
2.77 |
-9.38 |
1.04 |
0 |
|
|
349599 |
127275751 |
3 |
NOC7H11 |
ABC7D11 |
-126.98 |
2.91 |
-8.53 |
0.15 |
0 |
|
|
349600 |
127275752 |
1 |
O2N3C16H31 |
A2B3C16D31 |
-128.85 |
3.05 |
-8.64 |
1.2 |
0 |
|
|
349601 |
127275753 |
2 |
NO2C6H11 |
AB2C6D11 |
-183.76 |
3.34 |
-9.35 |
0.99 |
0 |
|
|
349602 |
127275754 |
1 |
FN2O3C16H21 |
AB2C3D16E21 |
-131.0 |
2.87 |
-9.25 |
-0.29 |
0 |
|
|
349603 |
127275755 |
1 |
N2O3C13H24 |
A2B3C13D24 |
-155.49 |
3.67 |
-9.34 |
1.1 |
0 |
|
|
349604 |
127275756 |
1 |
FN2O3C19H27 |
AB2C3D19E27 |
-169.07 |
3.87 |
-9.36 |
-0.22 |
0 |
|
|
349605 |
127275757 |
1 |
FN2O3C19H27 |
AB2C3D19E27 |
-170.1 |
4.46 |
-9.48 |
-0.23 |
0 |
|
|
349606 |
127275758 |
1 |
F2N2O3C19H26 |
A2B2C3D19E26 |
-213.9 |
4.19 |
-9.55 |
-0.47 |
0 |
|
|
349607 |
127275759 |
1 |
O2N3C14H27 |
A2B3C14D27 |
-113.55 |
4.38 |
-8.58 |
0.99 |
0 |
|
|
349608 |
127275760 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-114.0 |
3.1 |
-8.52 |
0.24 |
0 |
|
|
349609 |
127275761 |
2 |
NOC6H11 |
ABC6D11 |
-96.24 |
4.02 |
-9.13 |
1.1 |
0 |
|
|
349610 |
127275762 |
1 |
N3O3C20H31 |
A3B3C20D31 |
-121.7 |
3.08 |
-8.51 |
0.07 |
0 |
|
|
349611 |
127275763 |
1 |
FN2O2C16H21 |
AB2C2D16E21 |
-130.59 |
4.28 |
-9.38 |
-0.03 |
0 |
|
|
349612 |
127275764 |
1 |
N2O2C17H24 |
A2B2C17D24 |
-92.0 |
4.06 |
-9.04 |
0.33 |
0 |
|
|
349613 |
127275765 |
1 |
FN2O2C16H21 |
AB2C2D16E21 |
-128.39 |
3.03 |
-9.39 |
-0.2 |
0 |
|
|
349614 |
127275766 |
1 |
SN3O4C13H25 |
AB3C4D13E25 |
-191.77 |
4.18 |
-9.44 |
0.28 |
0 |
|
|
349615 |
127275767 |
1 |
N2O3C13H24 |
A2B3C13D24 |
-157.52 |
3.23 |
-9.21 |
1.21 |
0 |
|
|
349616 |
127275768 |
1 |
ClFN2O3C17H22 |
ABC2D3E17F22 |
-171.87 |
4.3 |
-9.54 |
-0.53 |
0 |
|
|
349617 |
127275769 |
1 |
F2N2O3C17H22 |
A2B2C3D17E22 |
-207.58 |
4.32 |
-9.56 |
-0.45 |
0 |
|
|
349618 |
127275770 |
1 |
Cl2N2O3C17H22 |
A2B2C3D17E22 |
-131.74 |
4.37 |
-9.49 |
-0.59 |
0 |
|
|
349619 |
127275771 |
1 |
N3O4C20H29 |
A3B4C20D29 |
-167.92 |
3.49 |
-9.37 |
-0.57 |
0 |
|
|
349620 |
127275772 |
1 |
ClSO2N3C15H18 |
ABC2D3E15F18 |
-58.97 |
2.42 |
-9.3 |
-1.11 |
0 |
|
|
349621 |
127275773 |
1 |
O2N3C13H25 |
A2B3C13D25 |
-106.89 |
3.07 |
-8.75 |
1.15 |
0 |
|
|
349622 |
127275774 |
1 |
N3O3C19H27 |
A3B3C19D27 |
-104.51 |
3.48 |
-8.54 |
0.28 |
0 |
|
|
349623 |
127275775 |
2 |
NOC7H12 |
ABC7D12 |
-100.96 |
3.7 |
-9.25 |
1.13 |
0 |
|
|
349624 |
127275776 |
1 |
N3O3C20H31 |
A3B3C20D31 |
-124.84 |
3.45 |
-8.69 |
0.06 |
0 |
|
|
349625 |
127275777 |
1 |
ClN3O3C19H28 |
AB3C3D19E28 |
-126.18 |
3.1 |
-8.88 |
-0.28 |
0 |
|
|
349626 |
127275778 |
3 |
NOC5H9 |
ABC5D9 |
-163.59 |
6.59 |
-9.2 |
1.14 |
0 |
|
|
349627 |
127275779 |
1 |
N2O3C13H24 |
A2B3C13D24 |
-153.86 |
3.29 |
-9.35 |
1.08 |
0 |
|
|
349628 |
127275780 |
1 |
N3O3C22H33 |
A3B3C22D33 |
-119.66 |
2.63 |
-8.52 |
0.24 |
0 |
|
|
349629 |
127275781 |
1 |
N3O3C20H31 |
A3B3C20D31 |
-123.86 |
4.44 |
-8.61 |
0.06 |
0 |
|
|
349630 |
127275782 |
1 |
N2O2C17H24 |
A2B2C17D24 |
-89.13 |
3.11 |
-9.15 |
0.4 |
0 |
|
|
349631 |
127275783 |
1 |
SN2O2C12H22 |
AB2C2D12E22 |
-111.36 |
2.3 |
-8.74 |
0.64 |
0 |
|
|
349632 |
127275784 |
1 |
N2O3C20H30 |
A2B3C20D30 |
-136.7 |
5.01 |
-8.87 |
0.09 |
0 |
|
|
349633 |
127275785 |
1 |
N3O3C17H31 |
A3B3C17D31 |
-174.84 |
2.07 |
-9.36 |
1.01 |
0 |
|
|
349634 |
127275786 |
1 |
N3O4C21H31 |
A3B4C21D31 |
-154.45 |
2.04 |
-8.55 |
0.27 |
0 |
|
|
349635 |
127275787 |
1 |
ClFN3O3C19H27 |
ABC3D3E19F27 |
-172.73 |
5.47 |
-9.33 |
-0.37 |
0 |
|
|
349636 |
127275788 |
3 |
NOC5H9 |
ABC5D9 |
-171.11 |
1.08 |
-9.3 |
1.07 |
0 |
|
|
349637 |
127275789 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-87.53 |
3.61 |
-8.68 |
-0.13 |
0 |
|
|
349638 |
127275790 |
1 |
SN3O3C18H31 |
AB3C3D18E31 |
-162.55 |
5.71 |
-8.88 |
0.39 |
0 |
|
|
349639 |
127275791 |
1 |
FN2O3C22H25 |
AB2C3D22E25 |
-134.47 |
2.6 |
-9.29 |
-0.21 |
0 |
|
|
349640 |
127275792 |
1 |
FN2O3C22H25 |
AB2C3D22E25 |
-135.44 |
2.26 |
-9.39 |
-0.21 |
0 |
|
|
349641 |
127275793 |
1 |
O2N5C14H23 |
A2B5C14D23 |
-65.11 |
3.43 |
-9.51 |
0.49 |
0 |
|
|
349642 |
127275794 |
1 |
ON5C20H27 |
AB5C20D27 |
-0.48 |
2.72 |
-9.47 |
0.28 |
0 |
|
|
349643 |
127275795 |
1 |
FO2N5C18H22 |
AB2C5D18E22 |
-73.54 |
2.27 |
-9.59 |
-0.37 |
0 |
|
|
349644 |
127275796 |
1 |
F2O2N5C18H21 |
A2B2C5D18E21 |
-117.18 |
2.73 |
-9.64 |
-0.6 |
0 |
|
|
349645 |
127275797 |
1 |
O2N3C24H35 |
A2B3C24D35 |
-108.17 |
7.04 |
-9.33 |
-0.02 |
0 |
|
|
349646 |
127275798 |
1 |
O2N3C24H35 |
A2B3C24D35 |
-83.72 |
6.88 |
-9.25 |
-0.06 |
0 |
|
|
349647 |
127275799 |
1 |
O2N4C23H34 |
A2B4C23D34 |
-90.75 |
5.16 |
-9.15 |
-0.1 |
0 |
|
|
349648 |
127275800 |
1 |
O2N4C21H30 |
A2B4C21D30 |
-90.72 |
4.54 |
-9.26 |
0.06 |
0 |
|
|
349649 |
127275801 |
1 |
O3N5C18H27 |
A3B5C18D27 |
-113.93 |
3.34 |
-9.49 |
-0.14 |
0 |
|
|
349650 |
127275802 |
1 |
O2N4C21H32 |
A2B4C21D32 |
-99.39 |
2.68 |
-9.5 |
-0.3 |
0 |
|
|
349651 |
127275803 |
1 |
N3O3C21H31 |
A3B3C21D31 |
-116.2 |
3.5 |
-8.63 |
0.02 |
0 |
|
|
349652 |
127275804 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-106.46 |
4.25 |
-8.73 |
-0.04 |
0 |
|
|
349653 |
127275805 |
1 |
N3O3C22H27 |
A3B3C22D27 |
-69.46 |
4.6 |
-8.46 |
-0.13 |
0 |
|
|
349654 |
127275806 |
1 |
N3O4C21H29 |
A3B4C21D29 |
-153.67 |
2.33 |
-8.71 |
0.08 |
0 |
|
|
349655 |
127275807 |
1 |
N2O3C21H24 |
A2B3C21D24 |
-80.56 |
5.6 |
-8.71 |
0.03 |
0 |
|
|
349656 |
127275808 |
1 |
SO3N4C19H24 |
AB3C4D19E24 |
-53.89 |
4.49 |
-8.88 |
-0.46 |
0 |
|
|
349657 |
127275809 |
1 |
SO2N4C17H26 |
AB2C4D17E26 |
-41.44 |
2.37 |
-8.84 |
-0.49 |
0 |
|
|
349658 |
127275810 |
1 |
FO2N4C20H27 |
AB2C4D20E27 |
-67.23 |
2.41 |
-8.79 |
-0.27 |
0 |
|
|
349659 |
127275811 |
1 |
ON5C12H17 |
AB5C12D17 |
31.42 |
2.55 |
-9.17 |
0.12 |
0 |
|
|
349660 |
127275812 |
1 |
ON5C15H23 |
AB5C15D23 |
28.04 |
5.5 |
-9.01 |
-0.32 |
0 |
|
|
349661 |
127275813 |
1 |
ON5C16H25 |
AB5C16D25 |
22.15 |
5.87 |
-8.95 |
-0.29 |
0 |
|
|
349662 |
127275814 |
1 |
ON5C16H23 |
AB5C16D23 |
54.09 |
2.65 |
-9.03 |
-0.37 |
0 |
|
|
349663 |
127275815 |
1 |
SO2N5C16H19 |
AB2C5D16E19 |
8.3 |
5.01 |
-8.95 |
-1.56 |
0 |
|
|
349664 |
127275816 |
1 |
O2N5C22H25 |
A2B5C22D25 |
-10.35 |
5.74 |
-8.89 |
-0.99 |
0 |
|
|
349665 |
127275817 |
1 |
O2N3C19H23 |
A2B3C19D23 |
-29.14 |
3.69 |
-8.57 |
0.23 |
0 |
|
|
349666 |
127275818 |
1 |
O2N7C20H25 |
A2B7C20D25 |
9.39 |
9.09 |
-8.94 |
-0.46 |
0 |
|
|
349667 |
127275819 |
1 |
O2N5C22H27 |
A2B5C22D27 |
-30.03 |
5.61 |
-8.34 |
-0.22 |
0 |
|
|
349668 |
127275820 |
1 |
N4O4C19H22 |
A4B4C19D22 |
-91.26 |
3.8 |
-9.07 |
-0.46 |
0 |
|
|
349669 |
127275821 |
1 |
O2N4C21H26 |
A2B4C21D26 |
-39.86 |
2.7 |
-9.29 |
-0.08 |
0 |
|
|
349670 |
127275822 |
1 |
SO2N5C18H23 |
AB2C5D18E23 |
-0.16 |
2.45 |
-9.46 |
-0.77 |
0 |
|
|
349671 |
127275823 |
1 |
O3N4C20H24 |
A3B4C20D24 |
-65.02 |
4.61 |
-9.49 |
-0.35 |
0 |
|
|
349672 |
127275824 |
1 |
O2N4C23H30 |
A2B4C23D30 |
-47.78 |
8.35 |
-9.23 |
-0.03 |
0 |
|
|
349673 |
127275825 |
1 |
N2O3C22H22 |
A2B3C22D22 |
-56.87 |
3.52 |
-9.06 |
-0.71 |
0 |
|
|
349674 |
127275826 |
1 |
O2N3C19H21 |
A2B3C19D21 |
-16.86 |
3.01 |
-9.15 |
-0.78 |
0 |
|
|
349675 |
127275827 |
1 |
ON5C23H27 |
AB5C23D27 |
58.81 |
2.1 |
-8.76 |
-0.04 |
0 |
|
|
349676 |
127275828 |
1 |
OSN5C20H25 |
ABC5D20E25 |
82.7 |
2.56 |
-9.25 |
-0.62 |
0 |
|
|
349677 |
127275829 |
1 |
SN3O4C16H27 |
AB3C4D16E27 |
-199.91 |
1.21 |
-9.29 |
-0.3 |
0 |
|
|
349678 |
127275830 |
1 |
SN3O3C18H23 |
AB3C3D18E23 |
-99.1 |
1.14 |
-9.35 |
-0.47 |
0 |
|
|
349679 |
127275831 |
1 |
SN4O4C17H26 |
AB4C4D17E26 |
-172.46 |
4.79 |
-9.1 |
-0.18 |
0 |
|
|
349680 |
127275832 |
1 |
SN2O4C19H26 |
AB2C4D19E26 |
-163.83 |
4.09 |
-8.64 |
-0.17 |
0 |
|
|
349681 |
127275833 |
1 |
S2N3O3C17H29 |
A2B3C3D17E29 |
-163.91 |
5.3 |
-8.76 |
-0.21 |
0 |
|
|
349682 |
127275834 |
1 |
SN3O3C15H25 |
AB3C3D15E25 |
-155.32 |
6.11 |
-9.16 |
-0.24 |
0 |
|
|
349683 |
127275835 |
1 |
SO2N3C21H23 |
AB2C3D21E23 |
-42.47 |
3.78 |
-8.7 |
-0.72 |
0 |
|
|
349684 |
127275836 |
1 |
SN3O3C17H29 |
AB3C3D17E29 |
-165.42 |
3.25 |
-9.12 |
-0.1 |
0 |