List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
370592 |
127339730 |
1 |
ON4C21H24 |
AB4C21D24 |
22.04 |
2.87 |
-9.07 |
-0.75 |
0 |
|
|
370593 |
127339731 |
1 |
O2N4C23H34 |
A2B4C23D34 |
-93.54 |
1.06 |
-9.26 |
0.67 |
0 |
|
|
370594 |
127339732 |
1 |
O2N5C18H19 |
A2B5C18D19 |
6.68 |
5.06 |
-9.33 |
-1.0 |
0 |
|
|
370595 |
127339733 |
1 |
SO2N4C20H26 |
AB2C4D20E26 |
-28.05 |
5.14 |
-9.13 |
-0.37 |
0 |
|
|
370596 |
127339734 |
1 |
O2N5C19H25 |
A2B5C19D25 |
-39.48 |
2.31 |
-8.8 |
0.22 |
0 |
|
|
370597 |
127339735 |
2 |
ON2C9H14 |
AB2C9D14 |
-80.3 |
5.17 |
-9.31 |
0.61 |
0 |
|
|
370598 |
127339736 |
1 |
ON4C20H22 |
AB4C20D22 |
33.32 |
5.0 |
-9.15 |
-0.86 |
0 |
|
|
370599 |
127339737 |
1 |
OSN6C16H24 |
ABC6D16E24 |
26.49 |
5.59 |
-8.65 |
-0.02 |
0 |
|
|
370600 |
127339738 |
1 |
O3N4C19H22 |
A3B4C19D22 |
-79.56 |
4.49 |
-8.96 |
-0.89 |
0 |
|
|
370601 |
127339739 |
1 |
N3O3C23H27 |
A3B3C23D27 |
-53.67 |
4.58 |
-8.72 |
-0.34 |
0 |
|
|
370602 |
127339744 |
1 |
O3N6C17H18 |
A3B6C17D18 |
-60.24 |
5.32 |
-9.42 |
-1.49 |
0 |
|
|
370603 |
127339745 |
1 |
ON6C14H20 |
AB6C14D20 |
37.84 |
6.98 |
-9.44 |
0.15 |
0 |
|
|
370604 |
127339746 |
1 |
ClON5C20H22 |
ABC5D20E22 |
44.04 |
1.11 |
-9.2 |
-0.82 |
0 |
|
|
370605 |
127339747 |
1 |
O2N4C21H28 |
A2B4C21D28 |
-57.22 |
7.43 |
-9.04 |
0.11 |
0 |
|
|
370606 |
127339752 |
1 |
O2N5C15H19 |
A2B5C15D19 |
-19.09 |
1.73 |
-9.31 |
-0.88 |
0 |
|
|
370607 |
127339753 |
1 |
OCl2N4C18H18 |
AB2C4D18E18 |
16.86 |
3.85 |
-8.89 |
-0.84 |
0 |
|
|
370608 |
127339754 |
1 |
SO2N4C18H28 |
AB2C4D18E28 |
-72.97 |
0.93 |
-8.72 |
0.35 |
0 |
|
|
370609 |
127339755 |
1 |
O3N5C18H21 |
A3B5C18D21 |
-42.47 |
3.74 |
-9.18 |
-0.91 |
0 |
|
|
370610 |
127339760 |
1 |
ON6C21H28 |
AB6C21D28 |
37.53 |
4.81 |
-9.27 |
-0.66 |
0 |
|
|
370611 |
127339761 |
1 |
OSN5C19H29 |
ABC5D19E29 |
-6.21 |
3.77 |
-8.44 |
0.01 |
0 |
|
|
370612 |
127339762 |
1 |
OSN7C16H19 |
ABC7D16E19 |
79.29 |
4.49 |
-9.3 |
-1.49 |
0 |
|
|
370613 |
127339763 |
1 |
SO3N4C19H32 |
AB3C4D19E32 |
-123.41 |
3.23 |
-9.23 |
0.2 |
0 |
|
|
370614 |
127339764 |
2 |
ON2C10H16 |
AB2C10D16 |
-93.15 |
2.7 |
-9.1 |
0.76 |
0 |
|
|
370615 |
127339765 |
1 |
OF3N5C19H26 |
AB3C5D19E26 |
-150.69 |
2.79 |
-9.2 |
-0.28 |
0 |
|
|
370616 |
127339766 |
1 |
SO3N5C16H27 |
AB3C5D16E27 |
-103.51 |
3.57 |
-9.25 |
0.14 |
0 |
|
|
370617 |
127339767 |
1 |
O2N5C21H25 |
A2B5C21D25 |
-24.16 |
3.46 |
-9.03 |
-0.75 |
0 |
|
|
370618 |
127339768 |
1 |
O2N5C20H25 |
A2B5C20D25 |
20.46 |
7.55 |
-9.39 |
-1.08 |
0 |
|
|
370619 |
127339769 |
1 |
OSN5C17H21 |
ABC5D17E21 |
39.56 |
2.91 |
-9.01 |
-0.74 |
0 |
|
|
370620 |
127339770 |
1 |
O3N5C16H21 |
A3B5C16D21 |
-91.8 |
5.68 |
-9.38 |
-0.67 |
0 |
|
|
370621 |
127339771 |
1 |
N3O3C20H25 |
A3B3C20D25 |
-74.29 |
6.22 |
-8.52 |
0.2 |
0 |
|
|
370622 |
127339772 |
1 |
O2N5C21H35 |
A2B5C21D35 |
-83.36 |
5.85 |
-9.28 |
0.63 |
0 |
|
|
370623 |
127339773 |
1 |
ON5C21H33 |
AB5C21D33 |
-11.66 |
4.53 |
-8.93 |
0.43 |
0 |
|
|
370624 |
127339774 |
1 |
ON6C21H32 |
AB6C21D32 |
2.8 |
4.98 |
-8.77 |
0.68 |
0 |
|
|
370625 |
127339775 |
1 |
OSN6C18H22 |
ABC6D18E22 |
65.22 |
5.24 |
-9.1 |
-0.88 |
0 |
|
|
370626 |
127339779 |
1 |
SO2N5C17H21 |
AB2C5D17E21 |
-22.64 |
3.09 |
-9.16 |
-1.09 |
0 |
|
|
370627 |
127339780 |
1 |
ON4C23H28 |
AB4C23D28 |
17.21 |
3.56 |
-9.3 |
-0.79 |
0 |
|
|
370628 |
127339781 |
1 |
ON5C18H27 |
AB5C18D27 |
6.91 |
5.46 |
-8.88 |
0.54 |
0 |
|
|
370629 |
127339785 |
1 |
ON4C23H30 |
AB4C23D30 |
2.6 |
3.07 |
-8.54 |
-0.15 |
0 |
|
|
370630 |
127339786 |
1 |
O2N5C21H35 |
A2B5C21D35 |
-86.07 |
3.66 |
-9.03 |
0.67 |
0 |
|
|
370631 |
127339787 |
1 |
ON5C18H21 |
AB5C18D21 |
45.01 |
5.64 |
-9.16 |
-0.64 |
0 |
|
|
370632 |
127339788 |
1 |
ON4C23H28 |
AB4C23D28 |
5.25 |
1.58 |
-8.21 |
-0.24 |
0 |
|
|
370633 |
127339789 |
1 |
O2N3C24H25 |
A2B3C24D25 |
1.48 |
2.52 |
-8.89 |
-0.74 |
0 |
|
|
370634 |
127339790 |
2 |
ON2C11H15 |
AB2C11D15 |
-33.88 |
4.19 |
-8.88 |
-0.02 |
0 |
|
|
370635 |
127339791 |
1 |
O2N4C19H30 |
A2B4C19D30 |
-87.34 |
0.43 |
-9.23 |
0.63 |
0 |
|
|
370636 |
127339792 |
1 |
BrON5C17H22 |
ABC5D17E22 |
45.81 |
3.1 |
-9.11 |
-0.09 |
0 |
|
|
370637 |
127339793 |
1 |
OSN4C17H22 |
ABC4D17E22 |
36.3 |
3.13 |
-9.19 |
-0.73 |
0 |
|
|
370638 |
127339797 |
1 |
ClFON4C19H20 |
ABCD4E19F20 |
-27.89 |
3.05 |
-8.9 |
-0.84 |
0 |
|
|
370639 |
127339798 |
1 |
ON4C23H24 |
AB4C23D24 |
39.89 |
2.76 |
-8.56 |
-0.55 |
0 |
|
|
370640 |
127339799 |
1 |
ON6C17H20 |
AB6C17D20 |
68.67 |
4.12 |
-9.08 |
-1.11 |
0 |
|
|
370641 |
127339800 |
1 |
ClO2N3C20H22 |
AB2C3D20E22 |
-20.59 |
0.94 |
-9.08 |
-0.86 |
0 |
|
|
370642 |
127339801 |
1 |
O2N3C22H27 |
A2B3C22D27 |
-32.37 |
3.95 |
-8.59 |
0.0 |
0 |
|
|
370643 |
127339802 |
1 |
OSN6C18H22 |
ABC6D18E22 |
62.42 |
6.65 |
-9.14 |
-0.99 |
0 |
|
|
370644 |
127339803 |
1 |
ON5C18H23 |
AB5C18D23 |
44.43 |
5.43 |
-9.28 |
-0.76 |
0 |
|
|
370645 |
127339804 |
1 |
ON5C19H29 |
AB5C19D29 |
-3.75 |
4.41 |
-8.9 |
0.76 |
0 |
|
|
370646 |
127339805 |
1 |
O2N3C20H23 |
A2B3C20D23 |
-11.82 |
2.94 |
-9.09 |
-0.47 |
0 |
|
|
370647 |
127339806 |
1 |
ON6C22H30 |
AB6C22D30 |
26.91 |
5.11 |
-9.11 |
-0.52 |
0 |
|
|
370648 |
127339807 |
1 |
SO3N6C17H26 |
AB3C6D17E26 |
-68.99 |
7.6 |
-9.17 |
0.2 |
0 |
|
|
370649 |
127339808 |
1 |
O2N4C19H30 |
A2B4C19D30 |
-80.14 |
5.67 |
-9.28 |
0.59 |
0 |
|
|
370650 |
127339809 |
1 |
ON5C16H23 |
AB5C16D23 |
18.67 |
2.61 |
-9.17 |
0.4 |
0 |
|
|
370651 |
127339810 |
1 |
O3N5C16H21 |
A3B5C16D21 |
-91.22 |
4.49 |
-9.16 |
-0.87 |
0 |
|
|
370652 |
127339811 |
1 |
O2N5C19H29 |
A2B5C19D29 |
-25.9 |
4.36 |
-9.31 |
-0.12 |
0 |
|
|
370653 |
127339812 |
1 |
O2N4C23H30 |
A2B4C23D30 |
-50.34 |
9.76 |
-8.86 |
0.28 |
0 |
|
|
370654 |
127339813 |
1 |
O2N7C18H23 |
A2B7C18D23 |
11.1 |
6.65 |
-9.37 |
-0.75 |
0 |
|
|
370655 |
127339814 |
1 |
OS2N4C19H22 |
AB2C4D19E22 |
38.79 |
2.44 |
-9.03 |
-1.29 |
0 |
|
|
370656 |
127339815 |
1 |
O2N5C19H27 |
A2B5C19D27 |
-53.72 |
5.47 |
-9.13 |
-0.03 |
0 |
|
|
370657 |
127339816 |
1 |
ON4C22H26 |
AB4C22D26 |
14.96 |
4.53 |
-9.06 |
-0.77 |
0 |
|
|
370658 |
127339817 |
1 |
ClO2N3C20H22 |
AB2C3D20E22 |
-23.08 |
3.21 |
-9.23 |
-0.9 |
0 |
|
|
370659 |
127339818 |
1 |
O2N4C23H30 |
A2B4C23D30 |
-46.76 |
6.79 |
-9.14 |
0.23 |
0 |
|
|
370660 |
127339819 |
1 |
O2N4C23H30 |
A2B4C23D30 |
-49.26 |
9.49 |
-9.27 |
0.16 |
0 |
|
|
370661 |
127339820 |
1 |
O2N3C23H27 |
A2B3C23D27 |
-27.26 |
5.48 |
-8.82 |
-0.18 |
0 |
|
|
370662 |
127339821 |
1 |
OSN4C22H26 |
ABC4D22E26 |
29.38 |
5.64 |
-9.12 |
-0.62 |
0 |
|
|
370663 |
127339822 |
1 |
OSN7C15H23 |
ABC7D15E23 |
57.18 |
8.32 |
-9.3 |
-0.54 |
0 |
|
|
370664 |
127339823 |
1 |
ON6C21H26 |
AB6C21D26 |
53.88 |
4.36 |
-9.15 |
-0.59 |
0 |
|
|
370665 |
127339824 |
1 |
O2N4C19H30 |
A2B4C19D30 |
-86.02 |
7.25 |
-9.31 |
0.58 |
0 |
|
|
370666 |
127339825 |
1 |
OSN6C17H26 |
ABC6D17E26 |
19.58 |
6.02 |
-8.72 |
-0.13 |
0 |
|
|
370667 |
127339829 |
1 |
O3N4C21H30 |
A3B4C21D30 |
-119.54 |
7.05 |
-9.24 |
-0.01 |
0 |
|
|
370668 |
127339830 |
1 |
FO2N4C20H21 |
AB2C4D20E21 |
-68.23 |
5.46 |
-9.28 |
-1.38 |
0 |
|
|
370669 |
127339831 |
1 |
ClON4C20H23 |
ABC4D20E23 |
6.37 |
4.67 |
-8.62 |
-0.25 |
0 |
|
|
370670 |
127339832 |
2 |
ON2C10H16 |
AB2C10D16 |
-91.48 |
5.8 |
-9.16 |
0.74 |
0 |
|
|
370671 |
127339833 |
1 |
O2N3C21H25 |
A2B3C21D25 |
-22.87 |
2.79 |
-8.93 |
-0.53 |
0 |
|
|
370672 |
127339834 |
1 |
O2N5C17H23 |
A2B5C17D23 |
-33.54 |
3.89 |
-9.12 |
-0.94 |
0 |
|
|
370673 |
127339835 |
2 |
ON2C11H15 |
AB2C11D15 |
-63.84 |
9.31 |
-9.06 |
0.08 |
0 |
|
|
370674 |
127339836 |
1 |
ON4C23H28 |
AB4C23D28 |
6.53 |
3.38 |
-8.29 |
0.02 |
0 |
|
|
370675 |
127339837 |
1 |
O2N4C21H26 |
A2B4C21D26 |
-43.51 |
3.69 |
-8.83 |
-0.12 |
0 |
|
|
370676 |
127339838 |
1 |
O2N5C20H23 |
A2B5C20D23 |
10.32 |
5.68 |
-9.04 |
-0.87 |
0 |
|
|
370677 |
127339851 |
1 |
OSN5C18H27 |
ABC5D18E27 |
2.51 |
2.97 |
-8.3 |
0.23 |
0 |
|
|
370678 |
127339852 |
1 |
OSN7C15H17 |
ABC7D15E17 |
85.06 |
3.32 |
-9.65 |
-1.59 |
0 |
|
|
370679 |
127339853 |
1 |
SO2N5C20H25 |
AB2C5D20E25 |
-30.92 |
3.66 |
-8.81 |
-1.04 |
0 |
|
|
370680 |
127339854 |
1 |
O2N5C20H23 |
A2B5C20D23 |
5.92 |
5.93 |
-9.01 |
-0.8 |
0 |
|
|
370681 |
127339855 |
1 |
O2N3C20H23 |
A2B3C20D23 |
-15.34 |
3.7 |
-9.03 |
-0.29 |
0 |
|
|
370682 |
127339856 |
1 |
O2N5C19H23 |
A2B5C19D23 |
27.43 |
6.25 |
-9.68 |
-1.15 |
0 |
|
|
370683 |
127339872 |
1 |
ON6C21H26 |
AB6C21D26 |
51.58 |
2.38 |
-9.25 |
-0.46 |
0 |
|
|
370684 |
127339873 |
1 |
O2N5C20H33 |
A2B5C20D33 |
-79.1 |
1.46 |
-9.06 |
0.69 |
0 |
|
|
370685 |
127339874 |
1 |
ON5C17H19 |
AB5C17D19 |
50.29 |
6.18 |
-9.19 |
-0.85 |
0 |
|
|
370686 |
127339875 |
1 |
O3N6C18H20 |
A3B6C18D20 |
-60.4 |
5.55 |
-9.62 |
-1.46 |
0 |
|
|
370687 |
127339876 |
1 |
ON6C22H28 |
AB6C22D28 |
60.72 |
4.05 |
-9.33 |
-0.73 |
0 |
|
|
370688 |
127339877 |
1 |
SO3N4C19H24 |
AB3C4D19E24 |
-67.87 |
9.38 |
-8.9 |
-0.18 |
0 |
|
|
370689 |
127339878 |
1 |
O2N3C23H23 |
A2B3C23D23 |
8.13 |
3.96 |
-8.97 |
-0.8 |
0 |
|
|
370690 |
127339879 |
1 |
O3N5C20H29 |
A3B5C20D29 |
-113.9 |
2.9 |
-9.39 |
0.0 |
0 |
|
|
370691 |
127339880 |
1 |
O2N3C23H29 |
A2B3C23D29 |
-35.45 |
3.29 |
-8.9 |
-0.22 |
0 |