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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
425643 |
135127115 |
1 |
Cl2N3O3C26H33 |
A2B3C3D26E33 |
-112.4 |
1.59 |
-8.63 |
-0.4 |
0 |
|
|
425644 |
135127116 |
1 |
FN3O6C17H18 |
AB3C6D17E18 |
-223.53 |
4.14 |
-9.01 |
-0.8 |
0 |
|
|
425645 |
135127118 |
2 |
NOH4C5 |
ABC4D5 |
-10.85 |
3.92 |
-10.47 |
-1.12 |
0 |
|
|
425646 |
135127119 |
1 |
N10O16C67H100 |
A10B16C67D100 |
-698.54 |
2.49 |
-9.01 |
-1.72 |
0 |
|
|
425647 |
135127120 |
1 |
N8O11C39H60 |
A8B11C39D60 |
-494.27 |
5.98 |
-9.19 |
-0.75 |
0 |
|
|
425648 |
135127121 |
1 |
N4O7C15H18 |
A4B7C15D18 |
-226.18 |
6.42 |
-9.06 |
-0.7 |
0 |
|
|
425649 |
135127124 |
1 |
SO2N5C22H23 |
AB2C5D22E23 |
41.46 |
6.6 |
-8.76 |
-1.09 |
0 |
|
|
425650 |
135127126 |
1 |
O2C21H38 |
A2B21C38 |
-148.79 |
4.96 |
-9.74 |
0.66 |
0 |
|
|
425651 |
135127129 |
1 |
N12O23C180H280 |
A12B23C180D280 |
-1077.96 |
23.59 |
-8.36 |
-0.74 |
0 |
|
|
425652 |
135127130 |
1 |
N4O5C23H38 |
A4B5C23D38 |
-220.27 |
5.69 |
-8.81 |
-0.15 |
0 |
|
|
425653 |
135127164 |
2 |
S3H5N6C22 |
A3B5C6D22 |
635.29 |
3.34 |
-9.7 |
-2.79 |
0 |
|
|
425654 |
135127191 |
1 |
S3N4H12C21 |
A3B4C12D21 |
234.23 |
6.16 |
-9.26 |
-2.08 |
0 |
|
|
425655 |
135127199 |
1 |
F3N3O4C24H26 |
A3B3C4D24E26 |
-273.7 |
5.63 |
-8.79 |
-1.0 |
0 |
|
|
425656 |
135127205 |
1 |
N3H21C25 |
A3B21C25 |
148.61 |
6.42 |
-9.29 |
-0.74 |
0 |
|
|
425657 |
135127208 |
1 |
N3C19H21 |
A3B19C21 |
71.26 |
3.65 |
-8.06 |
-0.53 |
0 |
|
|
425658 |
135127209 |
1 |
N3C19H21 |
A3B19C21 |
71.86 |
3.44 |
-8.01 |
-0.46 |
0 |
|
|
425659 |
135127212 |
1 |
N2H24C27 |
A2B24C27 |
82.7 |
2.82 |
-8.72 |
-0.51 |
0 |
|
|
425660 |
135127216 |
1 |
N2C25H26 |
A2B25C26 |
106.24 |
4.32 |
-8.78 |
-0.51 |
0 |
|
|
425661 |
135127218 |
2 |
NC19H21 |
AB19C21 |
71.92 |
3.01 |
-8.57 |
-0.29 |
0 |
|
|
425662 |
135127226 |
1 |
NSO2C17H17 |
ABC2D17E17 |
-21.6 |
7.07 |
-9.62 |
-0.63 |
0 |
|
|
425663 |
135127228 |
1 |
S2N3O4C21H31 |
A2B3C4D21E31 |
-139.26 |
3.8 |
-8.8 |
-0.04 |
0 |
|
|
425664 |
135127229 |
1 |
N3O6C23H23 |
A3B6C23D23 |
-92.66 |
3.51 |
-9.37 |
-0.57 |
0 |
|
|
425665 |
135127264 |
1 |
SO4N8C33H34 |
AB4C8D33E34 |
16.48 |
7.49 |
-9.49 |
-1.06 |
0 |
|
|
425666 |
135127265 |
1 |
O3N4C28H32 |
A3B4C28D32 |
-30.17 |
9.05 |
-8.18 |
-0.56 |
0 |
|
|
425667 |
135127277 |
1 |
SN6O6C40H48 |
AB6C6D40E48 |
-143.27 |
8.72 |
-8.29 |
-0.65 |
0 |
|
|
425668 |
135127295 |
1 |
F2N4O7H16C18 |
A2B4C7D16E18 |
-322.75 |
5.6 |
-9.71 |
-1.42 |
0 |
|
|
425669 |
135127296 |
1 |
F2N4O6H18C19 |
A2B4C6D18E19 |
-298.31 |
4.33 |
-9.38 |
-1.24 |
0 |
|
|
425670 |
135127297 |
1 |
N2O3F4C33H36 |
A2B3C4D33E36 |
-301.82 |
3.95 |
-8.91 |
-0.49 |
0 |
|
|
425671 |
135127301 |
1 |
NS2O3C50H101 |
AB2C3D50E101 |
-362.27 |
1.88 |
-8.86 |
0.2 |
0 |
|
|
425672 |
135127302 |
1 |
N2O4C41H80 |
A2B4C41D80 |
-358.18 |
1.53 |
-9.86 |
0.63 |
0 |
|
|
425673 |
135127304 |
1 |
F2N3O7C19H19 |
A2B3C7D19E19 |
-340.53 |
6.62 |
-9.2 |
-1.05 |
0 |
|
|
425674 |
135127307 |
1 |
O2N3C23H27 |
A2B3C23D27 |
-32.87 |
1.82 |
-8.52 |
-0.53 |
0 |
|
|
425675 |
135127311 |
1 |
NO5C41H79 |
AB5C41D79 |
-396.41 |
4.62 |
-10.04 |
0.39 |
0 |
|
|
425676 |
135127314 |
1 |
F2N3O6C20H21 |
A2B3C6D20E21 |
-314.71 |
7.95 |
-9.26 |
-1.08 |
0 |
|
|
425677 |
135127316 |
1 |
F2N3O7H15C17 |
A2B3C7D15E17 |
-319.5 |
4.79 |
-9.5 |
-1.39 |
0 |
|
|
425678 |
135127320 |
1 |
N3O6C52H105 |
A3B6C52D105 |
-487.69 |
6.39 |
-8.97 |
0.8 |
0 |
|
|
425679 |
135127321 |
1 |
N3F4O7H13C17 |
A3B4C7D13E17 |
-430.26 |
3.08 |
-10.11 |
-1.61 |
0 |
|
|
425680 |
135127323 |
1 |
O2N3C24H29 |
A2B3C24D29 |
-56.34 |
4.68 |
-8.64 |
-0.33 |
0 |
|
|
425681 |
135127331 |
1 |
N2O7C54H106 |
A2B7C54D106 |
-541.52 |
1.97 |
-9.5 |
0.5 |
0 |
|
|
425682 |
135127358 |
1 |
NC27H55 |
AB27C55 |
-108.64 |
1.1 |
-8.37 |
2.83 |
0 |
|
|
425683 |
135127360 |
1 |
N2O7C47H92 |
A2B7C47D92 |
-497.71 |
8.05 |
-9.67 |
0.62 |
0 |
|
|
425684 |
135127393 |
1 |
FN3O4H20C22 |
AB3C4D20E22 |
-138.94 |
1.92 |
-8.89 |
-0.41 |
0 |
|
|
425685 |
135127394 |
1 |
N3O5C24H25 |
A3B5C24D25 |
-148.98 |
4.84 |
-8.8 |
-0.28 |
0 |
|
|
425686 |
135127395 |
1 |
F3N3O4H14C17 |
A3B3C4D14E17 |
-252.75 |
3.91 |
-9.84 |
-0.66 |
0 |
|
|
425687 |
135127396 |
1 |
FO3N4H17C21 |
AB3C4D17E21 |
-48.92 |
1.37 |
-9.54 |
-0.78 |
0 |
|
|
425688 |
135127400 |
1 |
F3N3O3H14C16 |
A3B3C3D14E16 |
-222.58 |
3.02 |
-9.28 |
-0.94 |
0 |
|
|
425689 |
135127401 |
1 |
N3O4C17H17 |
A3B4C17D17 |
-120.27 |
5.04 |
-9.17 |
-0.67 |
0 |
|
|
425690 |
135127402 |
1 |
NSC10H21 |
ABC10D21 |
-21.24 |
1.21 |
-8.11 |
0.54 |
0 |
|
|
425691 |
135127403 |
1 |
NH23C35 |
AB23C35 |
138.87 |
1.28 |
-8.09 |
-0.84 |
0 |
|
|
425692 |
135127406 |
1 |
O3N4C21H22 |
A3B4C21D22 |
15.41 |
2.73 |
-8.88 |
-0.53 |
0 |
|
|
425693 |
135127411 |
1 |
N4O4C23H24 |
A4B4C23D24 |
-108.36 |
8.66 |
-8.78 |
-0.73 |
0 |
|
|
425694 |
135127413 |
1 |
INOC7H8 |
ABCD7E8 |
-1.11 |
2.81 |
-8.36 |
-1.65 |
0 |
|
|
425695 |
135127421 |
1 |
O2C17H18 |
A2B17C18 |
14.51 |
2.13 |
-9.24 |
-0.76 |
0 |
|
|
425696 |
135127422 |
1 |
NO2C16H25 |
AB2C16D25 |
-79.77 |
5.73 |
-8.47 |
-0.27 |
0 |
|
|
425697 |
135127423 |
1 |
OSN2C21H26 |
ABC2D21E26 |
-13.03 |
2.91 |
-8.1 |
-0.13 |
0 |
|
|
425698 |
135127424 |
1 |
INC15H28 |
ABC15D28 |
-21.44 |
1.02 |
-8.2 |
-0.73 |
0 |
|
|
425699 |
135127425 |
1 |
NSO3C21H25 |
ABC3D21E25 |
-95.04 |
2.53 |
-8.12 |
-0.26 |
0 |
|
|
425700 |
135127478 |
1 |
FCl3N3O6C31H31 |
AB3C3D6E31F31 |
-273.02 |
7.27 |
-9.63 |
-1.48 |
0 |
|
|
425701 |
135127479 |
1 |
FSC7H11 |
ABC7D11 |
-37.92 |
3.97 |
-8.7 |
-0.94 |
0 |
|
|
425702 |
135127489 |
1 |
OF3C12H15 |
AB3C12D15 |
-207.21 |
2.88 |
-9.0 |
-0.02 |
0 |
|
|
425703 |
135127499 |
1 |
FSN3C13H22 |
ABC3D13E22 |
-15.34 |
3.19 |
-8.39 |
0.28 |
0 |
|
|
425704 |
135127501 |
1 |
O2N3C35H35 |
A2B3C35D35 |
182.97 |
3.74 |
-9.16 |
-1.36 |
0 |
|
|
425705 |
135127502 |
1 |
NOSC24H49 |
ABCD24E49 |
-159.87 |
2.28 |
-9.07 |
0.15 |
0 |
|
|
425706 |
135127503 |
1 |
NO6C24H45 |
AB6C24D45 |
-323.21 |
7.05 |
-9.85 |
0.46 |
0 |
|
|
425707 |
135127505 |
1 |
NC11H17 |
AB11C17 |
39.7 |
2.47 |
-8.56 |
-0.28 |
0 |
|
|
425708 |
135127506 |
1 |
NO2C11H23 |
AB2C11D23 |
-148.87 |
2.18 |
-9.83 |
1.01 |
0 |
|
|
425709 |
135127507 |
2 |
NC3H7 |
AB3C7 |
8.44 |
2.26 |
-8.96 |
2.35 |
0 |
|
|
425710 |
135127510 |
1 |
NC11H19 |
AB11C19 |
1.12 |
2.11 |
-9.21 |
0.36 |
0 |
|
|
425711 |
135127512 |
1 |
SC11H16 |
AB11C16 |
-6.55 |
2.4 |
-8.9 |
0.02 |
0 |
|
|
425712 |
135127514 |
1 |
F3O3N4C30H33 |
A3B3C4D30E33 |
-232.14 |
7.24 |
-8.99 |
-1.13 |
0 |
|
|
425713 |
135127523 |
1 |
NOSC10H21 |
ABCD10E21 |
-99.64 |
1.59 |
-9.06 |
0.12 |
0 |
|
|
425714 |
135127527 |
2 |
NC12H15 |
AB12C15 |
35.15 |
0.6 |
-7.66 |
0.21 |
0 |
|
|
425715 |
135127578 |
1 |
NSF3O4H26C30 |
ABC3D4E26F30 |
-240.85 |
2.02 |
-8.86 |
-0.87 |
0 |
|
|
425716 |
135127584 |
1 |
OC11H20 |
AB11C20 |
-54.7 |
1.61 |
-9.18 |
0.94 |
0 |
|
|
425717 |
135127596 |
1 |
S3C23H30 |
A3B23C30 |
16.85 |
2.04 |
-8.56 |
-0.04 |
0 |
|
|
425718 |
135127599 |
1 |
NO2H19C30 |
AB2C19D30 |
68.85 |
4.58 |
-8.38 |
-1.17 |
0 |
|
|
425719 |
135127601 |
1 |
ClFNSO4H31C32 |
ABCDE4F31G32 |
-118.24 |
2.46 |
-9.07 |
-0.7 |
0 |
|
|
425720 |
135127604 |
1 |
NO3C8H9 |
AB3C8D9 |
-71.94 |
7.54 |
-9.56 |
-0.57 |
0 |
|
|
425721 |
135127606 |
2 |
NO2C12H15 |
AB2C12D15 |
-149.58 |
4.43 |
-8.52 |
-0.11 |
0 |
|
|
425722 |
135127607 |
1 |
OH16C19 |
AB16C19 |
55.69 |
1.61 |
-8.9 |
-0.57 |
0 |
|
|
425723 |
135127610 |
1 |
NSO7C22H33 |
ABC7D22E33 |
-261.51 |
3.85 |
-8.79 |
-0.59 |
0 |
|
|
425724 |
135127611 |
1 |
NO2H19C21 |
AB2C19D21 |
-4.77 |
3.48 |
-8.0 |
-0.6 |
0 |
|
|
425725 |
135127614 |
1 |
Cl2N2O2H18C25 |
A2B2C2D18E25 |
-2.69 |
8.05 |
-8.06 |
-0.93 |
0 |
|
|
425726 |
135127615 |
1 |
ClNO2H14C19 |
ABC2D14E19 |
-16.25 |
5.42 |
-8.44 |
-1.05 |
0 |
|
|
425727 |
135127616 |
1 |
NO2H13C19 |
AB2C13D19 |
-4.4 |
5.07 |
-8.26 |
-1.05 |
0 |
|
|
425728 |
135127641 |
2 |
NOC6H11 |
ABC6D11 |
-117.1 |
3.41 |
-9.12 |
1.24 |
0 |
|
|
425729 |
135127642 |
1 |
NO4C18H29 |
AB4C18D29 |
-161.18 |
1.99 |
-10.08 |
-0.09 |
0 |
|
|
425730 |
135127656 |
1 |
INO3C13H24 |
ABC3D13E24 |
-169.63 |
0.99 |
-9.6 |
-0.92 |
0 |
|
|
425731 |
135127662 |
1 |
FON2C13H19 |
ABC2D13E19 |
-73.9 |
2.62 |
-8.97 |
-0.44 |
0 |
|
|
425732 |
135127685 |
1 |
N2O2C25H32 |
A2B2C25D32 |
-30.5 |
5.17 |
-8.29 |
-0.4 |
0 |
|
|
425733 |
135127687 |
1 |
SN2O2C21H24 |
AB2C2D21E24 |
-6.08 |
6.43 |
-8.38 |
-0.54 |
0 |
|
|
425734 |
135127690 |
1 |
F2O3N6C23H24 |
A2B3C6D23E24 |
-63.11 |
4.42 |
-8.98 |
-0.64 |
0 |
|
|
425735 |
135127693 |
1 |
N2C13H20 |
A2B13C20 |
8.35 |
0.92 |
-7.66 |
0.33 |
0 |
|
|
425736 |
135127695 |
1 |
F2O3N4C23H28 |
A2B3C4D23E28 |
-125.89 |
3.16 |
-8.22 |
-0.54 |
0 |
|
|
425737 |
135127696 |
1 |
F2O3N6C24H26 |
A2B3C6D24E26 |
-75.91 |
6.45 |
-8.91 |
-0.77 |
0 |
|
|
425738 |
135127697 |
1 |
ON6C15H18 |
AB6C15D18 |
86.43 |
6.02 |
-8.77 |
-0.23 |
0 |
|
|
425739 |
135127699 |
2 |
FON3C12H14 |
ABC3D12E14 |
-21.58 |
5.35 |
-8.73 |
-0.77 |
0 |
|
|
425740 |
135127702 |
1 |
ON3C17H25 |
AB3C17D25 |
-2.01 |
3.72 |
-8.25 |
-0.24 |
0 |
|
|
425741 |
135127703 |
1 |
ON3C14H19 |
AB3C14D19 |
17.84 |
5.28 |
-8.35 |
-0.19 |
0 |
|
|
425742 |
135127707 |
1 |
FN4H19C20 |
AB4C19D20 |
58.11 |
3.62 |
-8.79 |
-0.8 |
0 |