List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
365792 |
127318517 |
1 |
O2N3C21H27 |
A2B3C21D27 |
-85.86 |
6.7 |
-9.18 |
-0.9 |
0 |
|
|
365793 |
127318518 |
1 |
O2N6C19H24 |
A2B6C19D24 |
-5.57 |
8.8 |
-8.93 |
-0.74 |
0 |
|
|
365794 |
127318519 |
2 |
ON2C9H10 |
AB2C9D10 |
-8.51 |
4.64 |
-8.98 |
-0.76 |
0 |
|
|
365795 |
127318520 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-78.76 |
7.67 |
-9.11 |
-1.01 |
0 |
|
|
365796 |
127318521 |
1 |
SN2O4C20H30 |
AB2C4D20E30 |
-165.61 |
6.68 |
-9.35 |
-0.41 |
0 |
|
|
365797 |
127318522 |
2 |
ON2C11H13 |
AB2C11D13 |
-9.47 |
3.86 |
-8.8 |
-1.0 |
0 |
|
|
365798 |
127318523 |
1 |
SN2O4C14H26 |
AB2C4D14E26 |
-194.57 |
4.64 |
-9.22 |
0.29 |
0 |
|
|
365799 |
127318524 |
1 |
N3O4C20H35 |
A3B4C20D35 |
-199.11 |
1.03 |
-8.73 |
0.88 |
0 |
|
|
365800 |
127318525 |
1 |
N3O4C22H29 |
A3B4C22D29 |
-166.62 |
5.15 |
-9.08 |
-0.8 |
0 |
|
|
365801 |
127318526 |
1 |
N3O3C19H33 |
A3B3C19D33 |
-161.33 |
5.45 |
-9.1 |
0.96 |
0 |
|
|
365802 |
127318527 |
4 |
NOC5H8 |
ABC5D8 |
-172.54 |
4.6 |
-9.31 |
-0.16 |
0 |
|
|
365803 |
127318528 |
1 |
N3O4C14H23 |
A3B4C14D23 |
-198.13 |
2.59 |
-9.52 |
-0.28 |
0 |
|
|
365804 |
127318529 |
1 |
N3O4C17H27 |
A3B4C17D27 |
-173.22 |
4.9 |
-9.25 |
-0.1 |
0 |
|
|
365805 |
127318530 |
1 |
N3O3C21H29 |
A3B3C21D29 |
-116.4 |
2.32 |
-8.97 |
0.18 |
0 |
|
|
365806 |
127318531 |
1 |
N2O3C19H26 |
A2B3C19D26 |
-109.63 |
4.02 |
-8.44 |
0.23 |
0 |
|
|
365807 |
127318532 |
1 |
N3O3C16H25 |
A3B3C16D25 |
-109.78 |
3.27 |
-9.21 |
0.58 |
0 |
|
|
365808 |
127318533 |
1 |
N2O3C16H28 |
A2B3C16D28 |
-146.72 |
2.81 |
-8.81 |
1.0 |
0 |
|
|
365809 |
127318534 |
1 |
SN3O5C16H23 |
AB3C5D16E23 |
-161.13 |
3.7 |
-9.34 |
-0.64 |
0 |
|
|
365810 |
127318535 |
1 |
N3O3C18H29 |
A3B3C18D29 |
-137.35 |
4.56 |
-8.98 |
0.77 |
0 |
|
|
365811 |
127318542 |
1 |
O2N4C15H22 |
A2B4C15D22 |
-52.79 |
6.2 |
-9.68 |
0.31 |
0 |
|
|
365812 |
127318543 |
1 |
O2N5C20H25 |
A2B5C20D25 |
-23.99 |
6.9 |
-8.68 |
-0.76 |
0 |
|
|
365813 |
127318544 |
1 |
N3O3C19H31 |
A3B3C19D31 |
-143.73 |
4.62 |
-9.02 |
0.73 |
0 |
|
|
365814 |
127318545 |
1 |
SN3O5C15H25 |
AB3C5D15E25 |
-199.7 |
2.58 |
-9.34 |
-0.38 |
0 |
|
|
365815 |
127318546 |
2 |
NO2C7H11 |
AB2C7D11 |
-178.96 |
2.34 |
-9.4 |
0.77 |
0 |
|
|
365816 |
127318547 |
1 |
O2N6C17H22 |
A2B6C17D22 |
5.33 |
5.92 |
-9.29 |
-0.9 |
0 |
|
|
365817 |
127318563 |
1 |
N2O3C21H30 |
A2B3C21D30 |
-114.22 |
4.52 |
-8.79 |
0.03 |
0 |
|
|
365818 |
127318564 |
1 |
SO2N4C17H24 |
AB2C4D17E24 |
-6.88 |
2.12 |
-8.72 |
-1.13 |
0 |
|
|
365819 |
127318565 |
1 |
SO2N3C17H25 |
AB2C3D17E25 |
-60.33 |
2.73 |
-8.74 |
-0.47 |
0 |
|
|
365820 |
127318694 |
1 |
O2N4C23H24 |
A2B4C23D24 |
-6.19 |
6.69 |
-8.64 |
-0.55 |
0 |
|
|
365821 |
127318695 |
1 |
O3N4C21H26 |
A3B4C21D26 |
-75.3 |
5.39 |
-8.26 |
0.11 |
0 |
|
|
365822 |
127318696 |
1 |
O3N4C18H20 |
A3B4C18D20 |
-53.43 |
1.95 |
-8.74 |
-0.28 |
0 |
|
|
365823 |
127318697 |
1 |
SO3N4C18H24 |
AB3C4D18E24 |
-78.8 |
5.07 |
-9.39 |
-0.49 |
0 |
|
|
365824 |
127318698 |
1 |
SO3N4C17H22 |
AB3C4D17E22 |
-59.73 |
4.94 |
-9.35 |
-0.64 |
0 |
|
|
365825 |
127318699 |
1 |
OSN6C16H18 |
ABC6D16E18 |
70.4 |
4.21 |
-9.19 |
-1.06 |
0 |
|
|
365826 |
127318700 |
1 |
SO2N4C20H24 |
AB2C4D20E24 |
-30.62 |
6.54 |
-8.26 |
0.07 |
0 |
|
|
365827 |
127318701 |
2 |
ON2C10H13 |
AB2C10D13 |
-23.79 |
4.34 |
-8.88 |
-0.16 |
0 |
|
|
365828 |
127318702 |
1 |
OSN4C19H20 |
ABC4D19E20 |
46.53 |
4.78 |
-9.42 |
-0.92 |
0 |
|
|
365829 |
127318703 |
1 |
OSN4C17H24 |
ABC4D17E24 |
-8.13 |
2.11 |
-9.24 |
-0.6 |
0 |
|
|
365830 |
127318704 |
1 |
O2N3C17H19 |
A2B3C17D19 |
-19.77 |
4.14 |
-9.38 |
-0.37 |
0 |
|
|
365831 |
127318771 |
1 |
ON3C10H15 |
AB3C10D15 |
-19.72 |
4.0 |
-9.36 |
0.59 |
0 |
|
|
365832 |
127318772 |
2 |
ON2C10H15 |
AB2C10D15 |
-82.73 |
3.96 |
-9.23 |
0.4 |
0 |
|
|
365833 |
127318773 |
1 |
O2N4C19H30 |
A2B4C19D30 |
-85.42 |
4.3 |
-9.3 |
0.54 |
0 |
|
|
365834 |
127318774 |
2 |
ON2C9H14 |
AB2C9D14 |
-83.58 |
3.29 |
-9.46 |
0.47 |
0 |
|
|
365835 |
127318775 |
1 |
ClON6C20H23 |
ABC6D20E23 |
51.49 |
5.48 |
-9.34 |
-0.92 |
0 |
|
|
365836 |
127318776 |
1 |
SO2N4C14H16 |
AB2C4D14E16 |
-18.67 |
2.71 |
-9.51 |
-1.07 |
0 |
|
|
365837 |
127318777 |
2 |
ON2C9H14 |
AB2C9D14 |
-85.35 |
1.52 |
-9.24 |
0.61 |
0 |
|
|
365838 |
127318778 |
1 |
O2N6C17H24 |
A2B6C17D24 |
-12.18 |
3.52 |
-9.42 |
0.25 |
0 |
|
|
365839 |
127318779 |
1 |
O2N4C15H22 |
A2B4C15D22 |
-63.47 |
3.56 |
-9.23 |
0.44 |
0 |
|
|
365840 |
127318780 |
1 |
ClON5C19H20 |
ABC5D19E20 |
44.85 |
2.65 |
-9.32 |
-0.84 |
0 |
|
|
365841 |
127318781 |
2 |
ON2C11H14 |
AB2C11D14 |
-40.58 |
7.11 |
-9.05 |
0.22 |
0 |
|
|
365842 |
127318782 |
1 |
SO2N5C19H23 |
AB2C5D19E23 |
-30.12 |
3.06 |
-8.82 |
-1.04 |
0 |
|
|
365843 |
127318783 |
1 |
ClON5C19H20 |
ABC5D19E20 |
44.83 |
2.01 |
-9.29 |
-0.86 |
0 |
|
|
365844 |
127318784 |
1 |
ClO2N3C18H18 |
AB2C3D18E18 |
-15.23 |
1.46 |
-9.35 |
-0.99 |
0 |
|
|
365845 |
127318785 |
2 |
ON2C10H13 |
AB2C10D13 |
-56.26 |
6.39 |
-9.09 |
0.09 |
0 |
|
|
365846 |
127318786 |
1 |
ON5C17H19 |
AB5C17D19 |
41.59 |
5.8 |
-9.11 |
-0.79 |
0 |
|
|
365847 |
127318787 |
1 |
BrO2N4C16H19 |
AB2C4D16E19 |
-29.9 |
3.0 |
-9.19 |
-0.74 |
0 |
|
|
365848 |
127318788 |
1 |
ON6C20H26 |
AB6C20D26 |
34.28 |
3.88 |
-9.24 |
-0.64 |
0 |
|
|
365849 |
127318789 |
1 |
O3N5C21H21 |
A3B5C21D21 |
-34.83 |
3.79 |
-8.94 |
-0.92 |
0 |
|
|
365850 |
127318806 |
1 |
O2N3C17H29 |
A2B3C17D29 |
-117.41 |
7.4 |
-8.82 |
0.52 |
0 |
|
|
365851 |
127318807 |
1 |
SN2O3C17H30 |
AB2C3D17E30 |
-163.31 |
4.93 |
-8.78 |
0.58 |
0 |
|
|
365852 |
127318808 |
1 |
SN2O3C18H32 |
AB2C3D18E32 |
-169.57 |
9.52 |
-8.88 |
0.77 |
0 |
|
|
365853 |
127318809 |
1 |
N3O3C22H35 |
A3B3C22D35 |
-164.95 |
4.26 |
-8.44 |
-0.08 |
0 |
|
|
365854 |
127318810 |
1 |
ON3C15H29 |
AB3C15D29 |
-71.8 |
4.02 |
-8.44 |
1.2 |
0 |
|
|
365855 |
127318811 |
1 |
N3O3C23H33 |
A3B3C23D33 |
-120.61 |
4.5 |
-8.61 |
-0.14 |
0 |
|
|
365856 |
127318812 |
1 |
ON4C21H30 |
AB4C21D30 |
-17.89 |
6.18 |
-8.78 |
-0.65 |
0 |
|
|
365857 |
127318813 |
1 |
ON4C20H28 |
AB4C20D28 |
-15.92 |
4.73 |
-8.74 |
-0.48 |
0 |
|
|
365858 |
127318814 |
1 |
O2F3N3C19H30 |
A2B3C3D19E30 |
-286.99 |
2.5 |
-8.38 |
0.32 |
0 |
|
|
365859 |
127318815 |
1 |
O2N3C17H29 |
A2B3C17D29 |
-117.39 |
7.38 |
-8.82 |
0.52 |
0 |
|
|
365860 |
127318904 |
1 |
O2N4C23H30 |
A2B4C23D30 |
-26.39 |
8.3 |
-8.68 |
-0.94 |
0 |
|
|
365861 |
127318905 |
2 |
ON2C9H16 |
AB2C9D16 |
-99.97 |
2.64 |
-8.51 |
0.0 |
0 |
|
|
365862 |
127319095 |
1 |
ON4C13H20 |
AB4C13D20 |
-14.34 |
6.57 |
-8.95 |
0.14 |
0 |
|
|
365863 |
127319096 |
1 |
SO2N3C16H23 |
AB2C3D16E23 |
-64.04 |
2.66 |
-8.84 |
-0.76 |
0 |
|
|
365864 |
127319097 |
1 |
ON3C15H27 |
AB3C15D27 |
-56.97 |
4.76 |
-8.84 |
1.21 |
0 |
|
|
365865 |
127319098 |
1 |
SN3O3C16H29 |
AB3C3D16E29 |
-142.77 |
5.3 |
-9.12 |
0.73 |
0 |
|
|
365866 |
127319112 |
1 |
N3O3C15H25 |
A3B3C15D25 |
-134.76 |
3.12 |
-8.8 |
0.85 |
0 |
|
|
365867 |
127319113 |
1 |
OSN5C15H17 |
ABC5D15E17 |
52.93 |
1.81 |
-8.69 |
-0.42 |
0 |
|
|
365868 |
127319114 |
1 |
SN3O3C19H35 |
AB3C3D19E35 |
-165.35 |
5.05 |
-8.46 |
0.62 |
0 |
|
|
365869 |
127319115 |
1 |
SN3O4C18H27 |
AB3C4D18E27 |
-153.93 |
7.89 |
-9.12 |
-0.66 |
0 |
|
|
365870 |
127319118 |
1 |
FSN3O4C18H26 |
ABC3D4E18F26 |
-206.5 |
7.24 |
-9.29 |
-0.94 |
0 |
|
|
365871 |
127319119 |
1 |
N3O3C20H21 |
A3B3C20D21 |
-82.68 |
6.07 |
-8.44 |
-0.37 |
0 |
|
|
365872 |
127319120 |
1 |
O2N3C20H31 |
A2B3C20D31 |
-93.98 |
4.8 |
-8.57 |
0.23 |
0 |
|
|
365873 |
127319121 |
1 |
N3O3C19H25 |
A3B3C19D25 |
-136.2 |
6.01 |
-9.01 |
-0.41 |
0 |
|
|
365874 |
127319124 |
4 |
NOC3H4 |
ABC3D4 |
-129.7 |
8.06 |
-9.04 |
-0.5 |
0 |
|
|
365875 |
127319125 |
1 |
SO2N5C20H25 |
AB2C5D20E25 |
-33.73 |
3.5 |
-8.64 |
-0.5 |
0 |
|
|
365876 |
127319126 |
1 |
OSN5C19H23 |
ABC5D19E23 |
21.65 |
8.35 |
-8.57 |
-0.48 |
0 |
|
|
365877 |
127319127 |
1 |
OSN4C17H18 |
ABC4D17E18 |
30.99 |
8.53 |
-8.53 |
-0.47 |
0 |
|
|
365878 |
127319128 |
1 |
OSN5C20H25 |
ABC5D20E25 |
13.49 |
8.1 |
-8.43 |
-0.29 |
0 |
|
|
365879 |
127319129 |
1 |
OSN5C20H25 |
ABC5D20E25 |
21.03 |
7.8 |
-8.57 |
-0.63 |
0 |
|
|
365880 |
127319130 |
1 |
SO2N5C20H23 |
AB2C5D20E23 |
-25.07 |
5.05 |
-8.66 |
-0.56 |
0 |
|
|
365881 |
127319131 |
1 |
SO2N5C18H21 |
AB2C5D18E21 |
-24.5 |
5.15 |
-8.51 |
-0.38 |
0 |
|
|
365882 |
127319133 |
1 |
OSN5C19H23 |
ABC5D19E23 |
17.47 |
9.08 |
-8.54 |
-0.44 |
0 |
|
|
365883 |
127319134 |
1 |
OSN5C18H21 |
ABC5D18E21 |
30.96 |
8.77 |
-8.59 |
-0.65 |
0 |
|
|
365884 |
127319135 |
1 |
O2N3F4C17H21 |
A2B3C4D17E21 |
-272.1 |
5.01 |
-8.83 |
-0.68 |
0 |
|
|
365885 |
127319137 |
1 |
ON7C20H25 |
AB7C20D25 |
48.96 |
2.82 |
-8.76 |
0.07 |
0 |
|
|
365886 |
127319138 |
1 |
ON5C21H29 |
AB5C21D29 |
7.84 |
5.34 |
-8.61 |
0.14 |
0 |
|
|
365887 |
127319139 |
1 |
ON6C22H28 |
AB6C22D28 |
41.85 |
7.09 |
-8.37 |
0.25 |
0 |
|
|
365888 |
127319140 |
1 |
ON4C19H24 |
AB4C19D24 |
15.51 |
6.03 |
-8.66 |
0.22 |
0 |
|
|
365889 |
127319147 |
1 |
O2N5C22H29 |
A2B5C22D29 |
-24.73 |
3.04 |
-8.79 |
0.12 |
0 |
|
|
365890 |
127319148 |
2 |
ON2C10H14 |
AB2C10D14 |
-40.7 |
5.73 |
-8.73 |
0.19 |
0 |
|
|
365891 |
127319149 |
1 |
ON5C21H29 |
AB5C21D29 |
-0.21 |
2.72 |
-8.8 |
0.06 |
0 |