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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
72752 |
48416507 |
1 |
SO3N4C20H24 |
AB3C4D20E24 |
-52.98 |
7.29 |
-8.86 |
-0.49 |
0 |
|
|
72753 |
48416508 |
1 |
O3N4C22H24 |
A3B4C22D24 |
-79.14 |
3.64 |
-9.07 |
-0.7 |
0 |
|
|
72754 |
48416509 |
1 |
O2N6C21H28 |
A2B6C21D28 |
-52.6 |
8.28 |
-9.05 |
-0.59 |
0 |
|
|
72755 |
48416510 |
1 |
O3N4C18H30 |
A3B4C18D30 |
-160.22 |
3.95 |
-9.3 |
0.79 |
0 |
|
|
72756 |
48416511 |
1 |
N3O4C19H27 |
A3B4C19D27 |
-153.58 |
6.2 |
-8.09 |
0.25 |
0 |
|
|
72757 |
48416512 |
1 |
SO2N4C21H26 |
AB2C4D21E26 |
-43.67 |
8.06 |
-9.19 |
-1.25 |
0 |
|
|
72758 |
48416513 |
1 |
O2N5C24H27 |
A2B5C24D27 |
1.74 |
4.2 |
-8.46 |
-0.4 |
0 |
|
|
72759 |
48416514 |
1 |
SN4O4C18H26 |
AB4C4D18E26 |
-153.34 |
5.7 |
-9.27 |
-0.31 |
0 |
|
|
72760 |
48416515 |
1 |
F2N3O4C17H21 |
A2B3C4D17E21 |
-242.02 |
10.42 |
-8.89 |
-0.33 |
0 |
|
|
72761 |
48416516 |
1 |
N3O3C22H25 |
A3B3C22D25 |
-75.15 |
5.36 |
-9.16 |
-0.14 |
0 |
|
|
72762 |
48416517 |
1 |
O3N5C13H17 |
A3B5C13D17 |
-83.58 |
3.1 |
-9.53 |
-1.27 |
0 |
|
|
72763 |
48416519 |
1 |
O2N3C19H27 |
A2B3C19D27 |
-85.19 |
2.49 |
-9.19 |
0.16 |
0 |
|
|
72764 |
48416520 |
1 |
O3N5C18H21 |
A3B5C18D21 |
-88.02 |
2.51 |
-9.43 |
-0.96 |
0 |
|
|
72765 |
48416521 |
1 |
ClO3N4C18H23 |
AB3C4D18E23 |
-123.98 |
3.64 |
-9.18 |
-0.87 |
0 |
|
|
72766 |
48416522 |
1 |
N4O4C19H26 |
A4B4C19D26 |
-154.52 |
3.64 |
-9.21 |
-0.42 |
0 |
|
|
72767 |
48416523 |
1 |
O3N4C22H32 |
A3B4C22D32 |
-137.49 |
2.48 |
-9.38 |
-0.06 |
0 |
|
|
72768 |
48416524 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-122.78 |
5.44 |
-8.53 |
0.45 |
0 |
|
|
72769 |
48416525 |
1 |
N3O3C22H23 |
A3B3C22D23 |
-69.84 |
6.17 |
-9.1 |
-0.89 |
0 |
|
|
72770 |
48416526 |
1 |
N3O3C19H25 |
A3B3C19D25 |
-112.29 |
2.55 |
-8.82 |
0.15 |
0 |
|
|
72771 |
48416527 |
1 |
ClN3O3C16H20 |
AB3C3D16E20 |
-111.22 |
4.63 |
-9.04 |
-0.43 |
0 |
|
|
72772 |
48416528 |
1 |
N4O4C21H26 |
A4B4C21D26 |
-147.26 |
4.92 |
-9.54 |
-1.69 |
0 |
|
|
72773 |
48416529 |
1 |
N3O3C22H25 |
A3B3C22D25 |
-78.1 |
3.18 |
-9.13 |
-0.18 |
0 |
|
|
72774 |
48416530 |
1 |
O4N5C18H21 |
A4B5C18D21 |
-117.82 |
1.68 |
-9.14 |
-1.17 |
0 |
|
|
72775 |
48416531 |
1 |
N4O4C21H26 |
A4B4C21D26 |
-100.47 |
6.5 |
-9.36 |
-0.42 |
0 |
|
|
72776 |
48416532 |
1 |
ClN3O3C18H20 |
AB3C3D18E20 |
-93.01 |
5.34 |
-9.26 |
-1.0 |
0 |
|
|
72777 |
48416533 |
1 |
O2N5C23H25 |
A2B5C23D25 |
-17.15 |
9.78 |
-9.07 |
-0.66 |
0 |
|
|
72778 |
48416534 |
1 |
N3O4C21H29 |
A3B4C21D29 |
-162.32 |
6.57 |
-9.22 |
-0.46 |
0 |
|
|
72779 |
48416535 |
1 |
SO2N4C19H22 |
AB2C4D19E22 |
-34.31 |
4.41 |
-9.06 |
-0.97 |
0 |
|
|
72780 |
48416536 |
1 |
O4N5C19H25 |
A4B5C19D25 |
-170.28 |
9.3 |
-8.64 |
-0.06 |
0 |
|
|
72781 |
48416537 |
1 |
SN3O3C20H21 |
AB3C3D20E21 |
-73.46 |
1.84 |
-8.71 |
-1.14 |
0 |
|
|
72782 |
48416538 |
1 |
SO2N3C18H27 |
AB2C3D18E27 |
-91.19 |
7.3 |
-9.12 |
-0.41 |
0 |
|
|
72783 |
48416539 |
1 |
ClN3O4C17H22 |
AB3C4D17E22 |
-144.97 |
7.93 |
-8.69 |
-0.31 |
0 |
|
|
72784 |
48416540 |
1 |
SO2N3C18H25 |
AB2C3D18E25 |
-80.93 |
5.31 |
-8.79 |
0.1 |
0 |
|
|
72785 |
48416541 |
1 |
N4O4C19H24 |
A4B4C19D24 |
-139.77 |
4.93 |
-9.41 |
-0.01 |
0 |
|
|
72786 |
48416542 |
1 |
N3O4C18H23 |
A3B4C18D23 |
-145.96 |
7.55 |
-8.93 |
-0.24 |
0 |
|
|
72787 |
48416545 |
1 |
N3O4C18H25 |
A3B4C18D25 |
-151.43 |
4.71 |
-9.14 |
-0.14 |
0 |
|
|
72788 |
48416546 |
1 |
N3O3C18H25 |
A3B3C18D25 |
-117.13 |
0.87 |
-8.73 |
0.19 |
0 |
|
|
72789 |
48416547 |
1 |
N3O4C19H27 |
A3B4C19D27 |
-151.04 |
1.79 |
-8.27 |
0.23 |
0 |
|
|
72790 |
48416548 |
1 |
N3O3C18H25 |
A3B3C18D25 |
-117.0 |
6.46 |
-9.1 |
-0.19 |
0 |
|
|
72791 |
48416549 |
1 |
O3N5C22H29 |
A3B5C22D29 |
-88.41 |
4.28 |
-9.31 |
-0.98 |
0 |
|
|
72792 |
48416550 |
1 |
N4O5C21H26 |
A4B5C21D26 |
-181.28 |
3.96 |
-8.3 |
0.06 |
0 |
|
|
72793 |
48416551 |
1 |
SN3O4C18H23 |
AB3C4D18E23 |
-138.13 |
6.96 |
-8.77 |
-0.44 |
0 |
|
|
72794 |
48416552 |
1 |
N3O3C22H29 |
A3B3C22D29 |
-112.69 |
8.84 |
-8.44 |
0.24 |
0 |
|
|
72795 |
48416553 |
1 |
N3O3C22H23 |
A3B3C22D23 |
-72.48 |
6.11 |
-8.98 |
-0.92 |
0 |
|
|
72796 |
48416554 |
1 |
BrClN3O3C16H19 |
ABC3D3E16F19 |
-105.46 |
1.68 |
-9.33 |
-0.75 |
0 |
|
|
72797 |
48416555 |
1 |
ClN3O3C20H28 |
AB3C3D20E28 |
-137.04 |
5.34 |
-9.16 |
-0.32 |
0 |
|
|
72798 |
48416558 |
1 |
ClO2N5C19H22 |
AB2C5D19E22 |
-29.14 |
1.73 |
-9.14 |
-0.74 |
0 |
|
|
72799 |
48416559 |
1 |
BrO2N3C15H18 |
AB2C3D15E18 |
-60.82 |
3.18 |
-9.35 |
-0.6 |
0 |
|
|
72800 |
48416560 |
1 |
SN4O4C17H24 |
AB4C4D17E24 |
-143.18 |
4.52 |
-9.2 |
-0.94 |
0 |
|
|
72801 |
48416561 |
1 |
O2N3C18H25 |
A2B3C18D25 |
-81.56 |
7.09 |
-9.33 |
0.1 |
0 |
|
|
72802 |
48416562 |
1 |
SN4O4C19H28 |
AB4C4D19E28 |
-152.69 |
2.94 |
-9.35 |
-0.88 |
0 |
|
|
72803 |
48416563 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-72.75 |
6.92 |
-9.19 |
-0.12 |
0 |
|
|
72804 |
48416564 |
1 |
O3N4C21H30 |
A3B4C21D30 |
-136.92 |
5.94 |
-9.11 |
-0.51 |
0 |
|
|
72805 |
48416565 |
1 |
N3O4C22H33 |
A3B4C22D33 |
-166.67 |
7.68 |
-8.35 |
0.09 |
0 |
|
|
72806 |
48416566 |
1 |
N3O4C23H27 |
A3B4C23D27 |
-111.05 |
7.03 |
-8.49 |
-0.08 |
0 |
|
|
72807 |
48416567 |
2 |
N2O2C9H13 |
A2B2C9D13 |
-155.51 |
5.8 |
-9.14 |
-0.69 |
0 |
|
|
72808 |
48416568 |
1 |
F2O3N4C20H26 |
A2B3C4D20E26 |
-216.33 |
5.15 |
-9.29 |
-0.89 |
0 |
|
|
72809 |
48416569 |
1 |
N3O4C20H29 |
A3B4C20D29 |
-157.73 |
7.89 |
-8.34 |
0.06 |
0 |
|
|
72810 |
48416570 |
1 |
ClN3O3C19H26 |
AB3C3D19E26 |
-134.11 |
9.02 |
-8.58 |
0.26 |
0 |
|
|
72811 |
48416571 |
1 |
ClO2N5C20H24 |
AB2C5D20E24 |
-39.16 |
4.92 |
-9.1 |
-0.88 |
0 |
|
|
72812 |
48416572 |
1 |
O2N3C19H21 |
A2B3C19D21 |
-47.17 |
2.34 |
-9.14 |
-0.74 |
0 |
|
|
72813 |
48416573 |
1 |
SN4O4C19H26 |
AB4C4D19E26 |
-141.74 |
6.89 |
-9.5 |
-0.94 |
0 |
|
|
72814 |
48416574 |
1 |
N3O3C21H23 |
A3B3C21D23 |
-70.01 |
6.12 |
-9.08 |
-0.29 |
0 |
|
|
72815 |
48416575 |
1 |
F2N3O3C16H19 |
A2B3C3D16E19 |
-209.0 |
7.66 |
-9.56 |
-0.43 |
0 |
|
|
72816 |
48416576 |
1 |
ClSO2N3C20H22 |
ABC2D3E20F22 |
-48.95 |
4.34 |
-8.6 |
-1.09 |
0 |
|
|
72817 |
48416577 |
1 |
O2N3C22H25 |
A2B3C22D25 |
-47.52 |
7.98 |
-8.86 |
0.2 |
0 |
|
|
72818 |
48416578 |
1 |
IO2N3C15H18 |
AB2C3D15E18 |
-46.6 |
0.92 |
-9.34 |
-1.08 |
0 |
|
|
72819 |
48416580 |
1 |
N3O3C22H23 |
A3B3C22D23 |
-74.25 |
1.64 |
-8.73 |
-0.15 |
0 |
|
|
72820 |
48416581 |
1 |
ClO2N4C14H17 |
AB2C4D14E17 |
-59.72 |
2.37 |
-9.46 |
-1.02 |
0 |
|
|
72821 |
48416582 |
1 |
Cl2O2N3C15H17 |
A2B2C3D15E17 |
-78.25 |
0.35 |
-9.34 |
-0.78 |
0 |
|
|
72822 |
48416583 |
1 |
O2N4C17H24 |
A2B4C17D24 |
-63.26 |
6.65 |
-8.51 |
-0.05 |
0 |
|
|
72823 |
48416585 |
1 |
O2N3C20H23 |
A2B3C20D23 |
-51.48 |
6.68 |
-8.67 |
-0.3 |
0 |
|
|
72824 |
48416586 |
1 |
N4O5C16H20 |
A4B5C16D20 |
-103.86 |
5.13 |
-9.31 |
-1.4 |
0 |
|
|
72825 |
48416587 |
1 |
SN4O4C18H26 |
AB4C4D18E26 |
-152.25 |
5.29 |
-9.12 |
-0.41 |
0 |
|
|
72826 |
48416588 |
1 |
N4O4C19H22 |
A4B4C19D22 |
-137.55 |
7.37 |
-9.45 |
-1.39 |
0 |
|
|
72827 |
48416589 |
1 |
N3O3C18H25 |
A3B3C18D25 |
-117.53 |
1.26 |
-8.87 |
0.2 |
0 |
|
|
72828 |
48416590 |
1 |
SO2N4C16H18 |
AB2C4D16E18 |
-34.57 |
2.8 |
-9.34 |
-1.16 |
0 |
|
|
72829 |
48416591 |
1 |
O3N4C21H30 |
A3B4C21D30 |
-137.42 |
7.07 |
-9.07 |
-0.46 |
0 |
|
|
72830 |
48416592 |
1 |
O3N4C17H24 |
A3B4C17D24 |
-127.77 |
11.92 |
-8.78 |
0.33 |
0 |
|
|
72831 |
48416593 |
1 |
FO3N4C20H27 |
AB3C4D20E27 |
-169.65 |
6.06 |
-9.33 |
-0.67 |
0 |
|
|
72832 |
48416595 |
1 |
N3O3C15H19 |
A3B3C15D19 |
-104.74 |
6.73 |
-9.22 |
-0.32 |
0 |
|
|
72833 |
48416596 |
1 |
SN3O3C16H21 |
AB3C3D16E21 |
-104.58 |
4.79 |
-9.1 |
-1.1 |
0 |
|
|
72834 |
48416597 |
1 |
N3O3C19H21 |
A3B3C19D21 |
-93.52 |
8.13 |
-8.62 |
-0.57 |
0 |
|
|
72835 |
48416598 |
1 |
O2N4C21H24 |
A2B4C21D24 |
-36.19 |
7.09 |
-8.43 |
-0.32 |
0 |
|
|
72836 |
48416599 |
1 |
N3O5C21H31 |
A3B5C21D31 |
-196.81 |
6.49 |
-8.22 |
0.01 |
0 |
|
|
72837 |
48416600 |
1 |
Cl2N3O3C17H21 |
A2B3C3D17E21 |
-125.95 |
4.62 |
-9.14 |
-0.58 |
0 |
|
|
72838 |
48416601 |
1 |
O4N5C19H25 |
A4B5C19D25 |
-74.99 |
8.25 |
-9.06 |
-1.17 |
0 |
|
|
72839 |
48416602 |
1 |
ClN3O3C19H26 |
AB3C3D19E26 |
-132.2 |
7.36 |
-8.66 |
0.04 |
0 |
|
|
72840 |
48416603 |
1 |
SO3N4C13H20 |
AB3C4D13E20 |
-130.18 |
4.48 |
-9.3 |
-0.49 |
0 |
|
|
72841 |
48416604 |
1 |
SN4O5C18H26 |
AB4C5D18E26 |
-185.52 |
6.77 |
-9.08 |
-0.84 |
0 |
|
|
72842 |
48416605 |
1 |
O3N4C18H22 |
A3B4C18D22 |
-79.08 |
8.19 |
-9.33 |
-0.49 |
0 |
|
|
72843 |
48416606 |
1 |
O4N7C17H23 |
A4B7C17D23 |
-135.14 |
6.61 |
-9.15 |
-0.74 |
0 |
|
|
72844 |
48416607 |
1 |
ClSO2N3C19H20 |
ABC2D3E19F20 |
-44.69 |
7.31 |
-9.25 |
-1.07 |
0 |
|
|
72845 |
48416608 |
1 |
O4N5C20H27 |
A4B5C20D27 |
-73.66 |
7.07 |
-8.96 |
-0.64 |
0 |
|
|
72846 |
48416609 |
1 |
N3O3C21H25 |
A3B3C21D25 |
-85.08 |
5.26 |
-8.66 |
-0.36 |
0 |
|
|
72847 |
48416610 |
1 |
ClO3N4C19H23 |
AB3C4D19E23 |
-114.78 |
3.44 |
-8.88 |
-0.25 |
0 |
|
|
72848 |
48416611 |
1 |
ClN3O4C20H28 |
AB3C4D20E28 |
-163.65 |
7.35 |
-9.24 |
-0.59 |
0 |
|
|
72849 |
48416612 |
1 |
O3N4C19H22 |
A3B4C19D22 |
-72.68 |
4.72 |
-9.16 |
-0.73 |
0 |
|
|
72850 |
48416613 |
1 |
O4N5C21H29 |
A4B5C21D29 |
-84.75 |
12.24 |
-9.23 |
-1.23 |
0 |
|
|
72851 |
48416614 |
1 |
SO3N4C20H20 |
AB3C4D20E20 |
-39.42 |
1.2 |
-9.24 |
-1.41 |
0 |