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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
83686 |
49860090 |
1 |
ClSBr2N4C14H19 |
ABC2D4E14F19 |
8.96 |
5.09 |
-8.81 |
-0.34 |
0 |
|
|
83687 |
49860101 |
1 |
SBr2N4C15H22 |
AB2C4D15E22 |
14.38 |
5.51 |
-9.12 |
-0.12 |
0 |
|
|
83688 |
49860106 |
1 |
BrN2O6C24H27 |
AB2C6D24E27 |
-224.1 |
7.01 |
-8.47 |
-1.57 |
0 |
|
|
83689 |
49860107 |
1 |
BrON3C14H18 |
ABC3D14E18 |
33.77 |
3.87 |
-9.01 |
-0.8 |
0 |
|
|
83690 |
49860174 |
1 |
ClO2N4C23H25 |
AB2C4D23E25 |
38.66 |
9.98 |
-9.16 |
-1.34 |
0 |
|
|
83691 |
49860198 |
1 |
ClNO3C23H32 |
ABC3D23E32 |
-77.37 |
5.23 |
-8.48 |
-0.13 |
0 |
|
|
83693 |
49860200 |
1 |
ClNO3C26H38 |
ABC3D26E38 |
-92.11 |
6.96 |
-8.59 |
-0.15 |
0 |
|
|
83694 |
49860211 |
1 |
ClO2N5C23H32 |
AB2C5D23E32 |
14.25 |
1.57 |
-8.54 |
-0.23 |
0 |
|
|
83696 |
49860213 |
1 |
ClO2F3N3C26H31 |
AB2C3D3E26F31 |
-198.61 |
8.44 |
-8.91 |
-0.59 |
0 |
|
|
83697 |
49860236 |
1 |
Cl2N3C21H29 |
A2B3C21D29 |
-23.38 |
2.75 |
-8.36 |
-1.05 |
0 |
|
|
83698 |
49860239 |
1 |
ClNO2C23H32 |
ABC2D23E32 |
-117.27 |
3.3 |
-8.74 |
0.04 |
0 |
|
|
83699 |
49860240 |
1 |
ClNO2C22H30 |
ABC2D22E30 |
-111.37 |
5.06 |
-9.07 |
-0.21 |
0 |
|
|
83701 |
49860262 |
1 |
ClSO2N5C23H34 |
ABC2D5E23F34 |
42.3 |
7.63 |
-7.65 |
-1.16 |
0 |
|
|
83702 |
49860272 |
1 |
ClOSN4C17H17 |
ABCD4E17F17 |
0.79 |
1.08 |
-7.75 |
-0.68 |
0 |
|
|
83703 |
49860359 |
1 |
ClN2O3C23H31 |
AB2C3D23E31 |
-102.4 |
4.7 |
-8.66 |
-0.84 |
0 |
|
|
83704 |
49860361 |
1 |
ClS2O3N4C44H81 |
AB2C3D4E44F81 |
-238.31 |
4.51 |
-8.66 |
-0.99 |
0 |
|
|
83706 |
49860414 |
1 |
ClON5C26H44 |
ABC5D26E44 |
-53.43 |
3.95 |
-7.97 |
-0.35 |
0 |
|
|
83707 |
49860419 |
1 |
ClO3N4C24H39 |
AB3C4D24E39 |
-149.65 |
4.81 |
-8.2 |
-0.54 |
0 |
|
|
83708 |
49860426 |
1 |
O2Cl4N5C35H65 |
A2B4C5D35E65 |
-228.85 |
1.01 |
-8.24 |
-0.44 |
0 |
|
|
83709 |
49860429 |
1 |
ClN2O4C21H29 |
AB2C4D21E29 |
-120.09 |
5.0 |
-8.49 |
-0.74 |
0 |
|
|
83710 |
49860495 |
1 |
Cl2N4C17H18 |
A2B4C17D18 |
22.5 |
1.85 |
-8.93 |
-0.8 |
0 |
|
|
83711 |
49860502 |
1 |
BrClNC14H19 |
ABCD14E19 |
-27.87 |
2.69 |
-8.71 |
-0.11 |
0 |
|
|
83712 |
49860503 |
1 |
ClNOC14H20 |
ABCD14E20 |
-69.11 |
2.12 |
-8.77 |
0.24 |
0 |
|
|
83713 |
49860504 |
1 |
BrClNC14H19 |
ABCD14E19 |
-23.31 |
2.68 |
-8.83 |
-0.11 |
0 |
|
|
83715 |
49860521 |
1 |
ClOSN3C14H22 |
ABCD3E14F22 |
-59.72 |
7.08 |
-8.56 |
-0.09 |
0 |
|
|
83716 |
49860528 |
1 |
ClN2C19H41 |
AB2C19D41 |
-97.61 |
3.05 |
-8.54 |
1.97 |
0 |
|
|
83719 |
49860593 |
1 |
ClO2N8C25H33 |
AB2C8D25E33 |
-12.29 |
9.37 |
-8.83 |
-1.14 |
0 |
|
|
83720 |
49860614 |
1 |
ClNO2C19H24 |
ABC2D19E24 |
-96.76 |
2.77 |
-8.62 |
-1.08 |
0 |
|
|
83722 |
49860643 |
1 |
ClNO2C22H34 |
ABC2D22E34 |
-143.8 |
4.55 |
-8.62 |
-0.01 |
0 |
|
|
83723 |
49860645 |
1 |
ClSN4O4C26H39 |
ABC4D4E26F39 |
-183.47 |
9.29 |
-8.62 |
-1.08 |
0 |
|
|
83725 |
49860685 |
1 |
ClN2C21H27 |
AB2C21D27 |
15.34 |
2.26 |
-8.93 |
0.08 |
0 |
|
|
83726 |
49860686 |
1 |
ClN2C19H23 |
AB2C19D23 |
23.84 |
1.29 |
-8.99 |
0.22 |
0 |
|
|
83727 |
49860702 |
1 |
ClOSN2C18H23 |
ABCD2E18F23 |
-66.5 |
4.84 |
-8.71 |
-0.64 |
0 |
|
|
83728 |
49860709 |
1 |
ClSN2O2C18H23 |
ABC2D2E18F23 |
-116.39 |
5.51 |
-8.79 |
-0.68 |
0 |
|
|
83729 |
49860725 |
1 |
ClOSN2C16H19 |
ABCD2E16F19 |
-38.97 |
6.3 |
-8.84 |
-0.71 |
0 |
|
|
83730 |
49860728 |
1 |
ClOSN2C17H23 |
ABCD2E17F23 |
-64.69 |
3.66 |
-8.62 |
-0.49 |
0 |
|
|
83732 |
49860735 |
1 |
ClOSN2C22H31 |
ABCD2E22F31 |
-83.94 |
3.38 |
-8.57 |
-0.45 |
0 |
|
|
83733 |
49860748 |
1 |
ClOSN3C17H22 |
ABCD3E17F22 |
-13.86 |
7.92 |
-8.77 |
-0.71 |
0 |
|
|
83734 |
49860763 |
1 |
ClO6N14C62H89 |
AB6C14D62E89 |
-172.21 |
9.73 |
-8.2 |
-0.56 |
0 |
|
|
83735 |
49860778 |
1 |
ClON8H25C32 |
ABC8D25E32 |
143.61 |
5.79 |
-8.81 |
-1.41 |
0 |
|
|
83736 |
49860787 |
1 |
ClO2N5C18H26 |
AB2C5D18E26 |
-27.23 |
2.4 |
-8.57 |
-0.48 |
0 |
|
|
83737 |
49860793 |
1 |
ClN4C18H23 |
AB4C18D23 |
43.96 |
4.12 |
-9.11 |
-0.42 |
0 |
|
|
83739 |
49860796 |
1 |
ClN3C19H24 |
AB3C19D24 |
33.36 |
4.85 |
-8.88 |
-0.18 |
0 |
|
|
83741 |
49860798 |
1 |
ClO3N5C15H24 |
AB3C5D15E24 |
-77.43 |
2.18 |
-8.43 |
-0.44 |
0 |
|
|
83742 |
49860799 |
1 |
ClO2F3N5C14H19 |
AB2C3D5E14F19 |
-174.48 |
4.17 |
-9.62 |
-0.82 |
0 |
|
|
83744 |
49860825 |
1 |
Cl2N3C19H29 |
A2B3C19D29 |
-44.7 |
3.41 |
-8.15 |
0.12 |
0 |
|
|
83745 |
49860887 |
1 |
ClNC13H20 |
ABC13D20 |
-35.42 |
5.67 |
-9.48 |
0.23 |
0 |
|
|
83746 |
49860891 |
1 |
Cl2O2N4C15H22 |
A2B2C4D15E22 |
-136.94 |
5.32 |
-9.09 |
-1.03 |
0 |
|
|
83747 |
49860907 |
2 |
ClN4C12H14 |
AB4C12D14 |
109.42 |
3.31 |
-8.41 |
-1.3 |
0 |
|
|
83748 |
49860916 |
2 |
ClN4H14C15 |
AB4C14D15 |
152.19 |
2.7 |
-8.75 |
-1.54 |
0 |
|
|
83749 |
49860917 |
2 |
ClN4C13H14 |
AB4C13D14 |
149.03 |
2.19 |
-8.25 |
-1.07 |
0 |
|
|
83750 |
49860918 |
2 |
ClN4C12H15 |
AB4C12D15 |
91.96 |
0.82 |
-9.02 |
-0.25 |
0 |
|
|
83751 |
49860919 |
2 |
ClN4C12H14 |
AB4C12D14 |
95.46 |
3.88 |
-8.49 |
-1.25 |
0 |
|
|
83752 |
49860942 |
1 |
ClSN6O6C41H53 |
ABC6D6E41F53 |
-192.89 |
16.04 |
-8.77 |
-1.21 |
0 |
|
|
83753 |
49860944 |
1 |
ClON4C17H31 |
ABC4D17E31 |
-87.82 |
3.08 |
-8.49 |
-0.12 |
0 |
|
|
83754 |
49860953 |
1 |
ClSO2N5C14H14 |
ABC2D5E14F14 |
-39.11 |
5.16 |
-8.2 |
-0.91 |
0 |
|
|
83756 |
49861037 |
1 |
ClN4O6C28H47 |
AB4C6D28E47 |
-333.04 |
5.03 |
-9.7 |
-0.1 |
0 |
|
|
83757 |
49861052 |
1 |
ClN5C11H14 |
AB5C11D14 |
67.93 |
2.99 |
-8.69 |
-1.09 |
0 |
|
|
83758 |
49861053 |
1 |
ClF3N3O4C19H23 |
AB3C3D4E19F23 |
-312.16 |
6.69 |
-9.23 |
-1.53 |
0 |
|
|
83759 |
49861065 |
1 |
ClN2O3C23H29 |
AB2C3D23E29 |
-118.72 |
0.94 |
-8.43 |
-0.14 |
0 |
|
|
83760 |
49861069 |
1 |
ClNOC15H22 |
ABCD15E22 |
41.5 |
3.66 |
-8.5 |
-0.38 |
0 |
|
|
83761 |
49861072 |
1 |
ClNO3C21H28 |
ABC3D21E28 |
-137.13 |
5.23 |
-8.68 |
-0.15 |
0 |
|
|
83763 |
49861106 |
1 |
ClNO3C24H34 |
ABC3D24E34 |
-144.74 |
5.87 |
-8.23 |
0.18 |
0 |
|
|
83764 |
49861112 |
1 |
ClNO2C24H32 |
ABC2D24E32 |
-73.83 |
2.65 |
-8.49 |
-0.43 |
0 |
|
|
83765 |
49861125 |
1 |
ClN6O6C27H31 |
AB6C6D27E31 |
-124.01 |
6.19 |
-9.72 |
-1.38 |
0 |
|
|
83766 |
49861176 |
1 |
ClN2F3O3C22H26 |
AB2C3D3E22F26 |
-277.78 |
7.04 |
-8.99 |
-0.71 |
0 |
|
|
83767 |
49861177 |
1 |
ClN2O2F3C23H28 |
AB2C2D3E23F28 |
-245.74 |
2.37 |
-8.99 |
-0.96 |
0 |
|
|
83768 |
49861180 |
1 |
ClN2O2F3C25H30 |
AB2C2D3E25F30 |
-219.51 |
4.16 |
-8.81 |
-0.59 |
0 |
|
|
83769 |
49861193 |
1 |
OCl2N4C19H24 |
AB2C4D19E24 |
-36.74 |
5.83 |
-8.89 |
-0.78 |
0 |
|
|
83770 |
49861227 |
1 |
ClN3O4C9H12 |
AB3C4D9E12 |
-123.64 |
7.4 |
-9.34 |
-0.68 |
0 |
|
|
83773 |
49861255 |
1 |
ClNOC20H26 |
ABCD20E26 |
-56.82 |
4.61 |
-9.07 |
-0.08 |
0 |
|
|
83774 |
49861256 |
1 |
BrOCl2N2C23H31 |
ABC2D2E23F31 |
-79.54 |
6.05 |
-8.87 |
-0.14 |
0 |
|
|
83775 |
49861264 |
1 |
ClO16C18H33 |
AB16C18D33 |
-755.42 |
4.2 |
-10.47 |
0.26 |
0 |
|
|
83776 |
49861267 |
1 |
ClN2O2C23H25 |
AB2C2D23E25 |
-67.97 |
4.3 |
-8.46 |
-0.81 |
0 |
|
|
83777 |
49861301 |
1 |
ClO2N4C30H33 |
AB2C4D30E33 |
-49.8 |
10.8 |
-8.44 |
-0.86 |
0 |