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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
34249 |
7890494 |
1 |
ClN2O3H21C24 |
AB2C3D21E24 |
-68.58 |
3.19 |
-7.96 |
-1.24 |
0 |
|
|
34250 |
7890496 |
1 |
ClN2O3H21C24 |
AB2C3D21E24 |
-64.78 |
5.25 |
-8.08 |
-0.88 |
0 |
|
|
34251 |
7890497 |
1 |
NSO6H19C21 |
ABC6D19E21 |
-55.51 |
4.99 |
-9.09 |
-1.23 |
0 |
|
|
34252 |
7890508 |
1 |
ClN2O5C16H17 |
AB2C5D16E17 |
-204.28 |
2.0 |
-9.58 |
-1.26 |
0 |
|
|
34253 |
7890509 |
1 |
ClSN2O6C17H17 |
ABC2D6E17F17 |
-207.37 |
3.08 |
-9.12 |
-1.21 |
0 |
|
|
34254 |
7890527 |
1 |
ClNO3C19H20 |
ABC3D19E20 |
-108.69 |
2.6 |
-8.66 |
-1.31 |
0 |
|
|
34255 |
7890531 |
1 |
NCl3O3H16C18 |
AB3C3D16E18 |
-116.13 |
3.98 |
-9.68 |
-0.97 |
0 |
|
|
34256 |
7890533 |
1 |
SN2O7H14C15 |
AB2C7D14E15 |
-153.81 |
8.58 |
-10.09 |
-1.37 |
0 |
|
|
34257 |
7890539 |
1 |
NSO5C16H17 |
ABC5D16E17 |
-157.4 |
7.38 |
-9.61 |
-0.9 |
0 |
|
|
34258 |
7890543 |
1 |
SN2O6C19H24 |
AB2C6D19E24 |
-214.83 |
7.0 |
-8.68 |
-0.51 |
0 |
|
|
34259 |
7890553 |
1 |
SN2O6C18H20 |
AB2C6D18E20 |
-206.42 |
6.28 |
-8.55 |
-1.15 |
0 |
|
|
34260 |
7890557 |
1 |
NSO5C16H17 |
ABC5D16E17 |
-159.96 |
6.86 |
-9.3 |
-0.83 |
0 |
|
|
34261 |
7890561 |
1 |
NSO7C18H21 |
ABC7D18E21 |
-233.37 |
5.26 |
-8.28 |
-0.99 |
0 |
|
|
34262 |
7890563 |
1 |
FNSO5H14C15 |
ABCD5E14F15 |
-197.9 |
8.33 |
-9.82 |
-0.95 |
0 |
|
|
34263 |
7890566 |
1 |
ClNO3C21H24 |
ABC3D21E24 |
-116.13 |
3.74 |
-9.22 |
-0.89 |
0 |
|
|
34264 |
7890567 |
1 |
SN2O6H18C19 |
AB2C6D18E19 |
-170.38 |
8.45 |
-8.87 |
-1.05 |
0 |
|
|
34265 |
7890571 |
1 |
ClFNO3H17C21 |
ABCD3E17F21 |
-113.9 |
5.92 |
-9.03 |
-0.81 |
0 |
|
|
34266 |
7890572 |
1 |
FNSO6C16H16 |
ABCD6E16F16 |
-235.96 |
9.77 |
-9.08 |
-0.78 |
0 |
|
|
34267 |
7890580 |
1 |
SN2O6C20H24 |
AB2C6D20E24 |
-210.69 |
7.2 |
-9.46 |
-1.2 |
0 |
|
|
34268 |
7890581 |
4 |
OH4C5 |
AB4C5 |
-93.32 |
2.1 |
-9.16 |
-0.75 |
0 |
|
|
34269 |
7890582 |
1 |
NSO6C20H23 |
ABC6D20E23 |
-211.07 |
8.47 |
-9.1 |
-0.7 |
0 |
|
|
34270 |
7890585 |
1 |
ClNSO4H16C21 |
ABCD4E16F21 |
-100.52 |
4.76 |
-8.52 |
-0.98 |
0 |
|
|
34271 |
7890586 |
2 |
NSO3C8H9 |
ABC3D8E9 |
-195.11 |
4.79 |
-9.1 |
-1.08 |
0 |
|
|
34272 |
7890587 |
1 |
ClNO5H18C22 |
ABC5D18E22 |
-135.0 |
6.51 |
-8.32 |
-0.98 |
0 |
|
|
34273 |
7890589 |
1 |
ClNO5H18C22 |
ABC5D18E22 |
-142.2 |
7.69 |
-8.59 |
-1.05 |
0 |
|
|
34274 |
7890595 |
1 |
O4C19H20 |
A4B19C20 |
-127.86 |
2.43 |
-9.46 |
-0.52 |
0 |
|
|
34275 |
7890598 |
1 |
SN2O7C14H20 |
AB2C7D14E20 |
-266.0 |
3.81 |
-9.79 |
-1.17 |
0 |
|
|
34276 |
7890606 |
1 |
O4H20C23 |
A4B20C23 |
-97.81 |
3.23 |
-9.25 |
-0.46 |
0 |
|
|
34277 |
7890609 |
1 |
SN2O6C17H24 |
AB2C6D17E24 |
-244.5 |
3.9 |
-9.66 |
-1.12 |
0 |
|
|
34278 |
7890610 |
1 |
BrFO3H10C14 |
ABC3D10E14 |
-121.88 |
4.98 |
-9.68 |
-0.8 |
0 |
|
|
34279 |
7890613 |
1 |
NO5H17C18 |
AB5C17D18 |
-165.22 |
5.68 |
-9.12 |
-0.7 |
0 |
|
|
34280 |
7890614 |
1 |
SN2O6C17H24 |
AB2C6D17E24 |
-211.1 |
5.24 |
-9.33 |
-0.98 |
0 |
|
|
34281 |
7890617 |
1 |
NSF2O6H13C16 |
ABC2D6E13F16 |
-269.99 |
7.7 |
-10.03 |
-0.99 |
0 |
|
|
34282 |
7890618 |
2 |
O2H8C11 |
A2B8C11 |
-79.4 |
2.71 |
-8.89 |
-0.63 |
0 |
|
|
34283 |
7890619 |
1 |
SN2O6C20H20 |
AB2C6D20E20 |
-178.33 |
8.14 |
-8.65 |
-1.18 |
0 |
|
|
34284 |
7890621 |
1 |
NSO7C19H21 |
ABC7D19E21 |
-241.74 |
3.07 |
-9.19 |
-0.89 |
0 |
|
|
34285 |
7890622 |
1 |
FNO4H18C21 |
ABC4D18E21 |
-146.27 |
4.94 |
-8.72 |
-0.66 |
0 |
|
|
34286 |
7890623 |
1 |
FSN2O6C17H17 |
ABC2D6E17F17 |
-241.14 |
5.17 |
-9.06 |
-1.06 |
0 |
|
|
34287 |
7890624 |
1 |
FSN2O6C17H17 |
ABC2D6E17F17 |
-241.0 |
5.79 |
-9.0 |
-1.13 |
0 |
|
|
34288 |
7890628 |
1 |
NO6H21C23 |
AB6C21D23 |
-182.03 |
3.25 |
-8.97 |
-1.16 |
0 |
|
|
34289 |
7890629 |
1 |
SN2O6C16H22 |
AB2C6D16E22 |
-233.26 |
3.91 |
-9.36 |
-1.0 |
0 |
|
|
34290 |
7890636 |
1 |
SN2O6C18H20 |
AB2C6D18E20 |
-190.53 |
5.85 |
-9.0 |
-1.14 |
0 |
|
|
34291 |
7890637 |
1 |
SN2O6C18H20 |
AB2C6D18E20 |
-189.47 |
8.48 |
-8.75 |
-1.07 |
0 |
|
|
34292 |
7890639 |
1 |
NSO6C18H19 |
ABC6D18E19 |
-196.68 |
7.47 |
-9.62 |
-0.81 |
0 |
|
|
34293 |
7890640 |
1 |
N2O5C10H10 |
A2B5C10D10 |
-185.26 |
0.55 |
-9.52 |
-0.64 |
0 |
|
|
34294 |
7890642 |
1 |
N3O7H13C16 |
A3B7C13D16 |
-136.5 |
6.45 |
-9.78 |
-1.77 |
0 |
|
|
34295 |
7890643 |
1 |
N2S2O5C13H14 |
A2B2C5D13E14 |
-146.68 |
4.78 |
-9.37 |
-0.88 |
0 |
|
|
34296 |
7890655 |
1 |
N2O7H16C18 |
A2B7C16D18 |
-239.59 |
3.18 |
-8.48 |
-0.97 |
0 |
|
|
34297 |
7890667 |
1 |
SN2O6C18H26 |
AB2C6D18E26 |
-252.45 |
4.49 |
-9.68 |
-1.07 |
0 |
|
|
34298 |
7890671 |
1 |
SN2O6C18H26 |
AB2C6D18E26 |
-252.32 |
8.46 |
-9.73 |
-1.13 |
0 |
|
|
34299 |
7890672 |
1 |
NO5H21C23 |
AB5C21D23 |
-137.73 |
5.7 |
-8.29 |
-0.98 |
0 |
|
|
34300 |
7890675 |
1 |
SN2O6H16C18 |
AB2C6D16E18 |
-148.54 |
4.29 |
-9.19 |
-0.98 |
0 |
|
|
34301 |
7890679 |
1 |
SN3O6C17H23 |
AB3C6D17E23 |
-213.15 |
7.57 |
-10.17 |
-1.16 |
0 |
|
|
34302 |
7890688 |
1 |
NSO5C17H17 |
ABC5D17E17 |
-136.32 |
6.71 |
-9.31 |
-0.87 |
0 |
|
|
34303 |
7890700 |
1 |
Cl2O4H12C15 |
A2B4C12D15 |
-130.38 |
5.22 |
-9.43 |
-0.71 |
0 |
|
|
34304 |
7890702 |
1 |
SN2O4H12C15 |
AB2C4D12E15 |
-102.61 |
3.21 |
-8.88 |
-0.97 |
0 |
|
|
34305 |
7890704 |
1 |
NO4H21C22 |
AB4C21D22 |
-105.7 |
8.41 |
-8.6 |
-0.61 |
0 |
|
|
34306 |
7890706 |
1 |
NO4H21C22 |
AB4C21D22 |
-103.44 |
5.47 |
-8.74 |
-0.4 |
0 |
|
|
34307 |
7890711 |
1 |
NSCl2O5H13C15 |
ABC2D5E13F15 |
-165.6 |
6.85 |
-9.62 |
-1.01 |
0 |
|
|
34308 |
7890714 |
1 |
ClNSO6H14C16 |
ABCD6E14F16 |
-187.03 |
4.19 |
-9.98 |
-0.99 |
0 |
|
|
34309 |
7890716 |
1 |
BrO3H11C14 |
AB3C11D14 |
-74.77 |
2.48 |
-9.41 |
-0.57 |
0 |
|
|
34310 |
7890717 |
1 |
NSO6C14H17 |
ABC6D14E17 |
-222.86 |
3.74 |
-10.04 |
-0.96 |
0 |
|
|
34311 |
7890727 |
1 |
SN2O7C14H18 |
AB2C7D14E18 |
-252.47 |
7.05 |
-9.63 |
-0.73 |
0 |
|
|
34312 |
7890731 |
1 |
NSO6C19H25 |
ABC6D19E25 |
-246.11 |
9.2 |
-9.73 |
-0.86 |
0 |
|
|
34313 |
7890735 |
1 |
SN2O4H18C21 |
AB2C4D18E21 |
-59.54 |
2.15 |
-8.9 |
-0.76 |
0 |
|
|
34314 |
7890738 |
1 |
SN2O7C18H20 |
AB2C7D18E20 |
-228.35 |
11.15 |
-9.12 |
-0.71 |
0 |
|
|
34315 |
7890740 |
1 |
N3O4H17C21 |
A3B4C17D21 |
-45.66 |
6.29 |
-8.6 |
-0.97 |
0 |
|
|
34316 |
7890742 |
1 |
NO4H23C24 |
AB4C23D24 |
-101.81 |
3.15 |
-9.33 |
-0.67 |
0 |
|
|
34317 |
7890743 |
1 |
SN2O6C18H20 |
AB2C6D18E20 |
-205.68 |
3.71 |
-9.03 |
-1.2 |
0 |
|
|
34318 |
7890744 |
1 |
N2O5H14C16 |
A2B5C14D16 |
-162.87 |
6.63 |
-9.13 |
-0.75 |
0 |
|
|
34319 |
7890748 |
1 |
NO4C23H23 |
AB4C23D23 |
-119.22 |
4.79 |
-8.67 |
-0.36 |
0 |
|
|
34320 |
7890755 |
1 |
SN2O6C18H20 |
AB2C6D18E20 |
-211.06 |
4.36 |
-8.73 |
-1.16 |
0 |
|
|
34321 |
7890757 |
1 |
O3N4C21H22 |
A3B4C21D22 |
-57.46 |
7.48 |
-8.36 |
-0.61 |
0 |
|
|
34322 |
7890758 |
1 |
SN2O6C16H16 |
AB2C6D16E16 |
-190.24 |
5.3 |
-8.88 |
-1.2 |
0 |
|
|
34323 |
7890763 |
1 |
FSN2O6C18H19 |
ABC2D6E18F19 |
-236.15 |
6.58 |
-9.66 |
-0.95 |
0 |
|
|
34324 |
7890766 |
1 |
SN3O3C21H21 |
AB3C3D21E21 |
-57.59 |
6.3 |
-8.49 |
-0.7 |
0 |
|
|
34325 |
7890767 |
1 |
FSN2O6C18H19 |
ABC2D6E18F19 |
-236.15 |
4.12 |
-9.74 |
-0.76 |
0 |
|
|
34326 |
7890772 |
1 |
N3O4C13H17 |
A3B4C13D17 |
-170.0 |
6.36 |
-9.12 |
-0.66 |
0 |
|
|
34327 |
7890776 |
1 |
SO2N6C19H22 |
AB2C6D19E22 |
45.29 |
6.11 |
-8.57 |
-1.06 |
0 |
|
|
34328 |
7890783 |
1 |
ClN3O5H16C17 |
AB3C5D16E17 |
-147.13 |
2.75 |
-9.02 |
-0.89 |
0 |
|
|
34329 |
7890788 |
1 |
SN2O6C19H22 |
AB2C6D19E22 |
-214.98 |
5.5 |
-8.65 |
-1.14 |
0 |
|
|
34330 |
7890804 |
1 |
SN2O5C19H22 |
AB2C5D19E22 |
-198.32 |
7.22 |
-8.45 |
-0.76 |
0 |
|
|
34331 |
7890805 |
1 |
ClNSO5C16H16 |
ABCD5E16F16 |
-167.51 |
7.58 |
-9.66 |
-0.96 |
0 |
|
|
34332 |
7890807 |
1 |
N2O5C21H26 |
A2B5C21D26 |
-177.72 |
6.76 |
-8.0 |
-0.6 |
0 |
|
|
34333 |
7890811 |
1 |
SN3O3H17C19 |
AB3C3D17E19 |
-43.37 |
6.98 |
-8.62 |
-0.72 |
0 |
|
|
34334 |
7890817 |
1 |
N2O4C13H14 |
A2B4C13D14 |
-151.03 |
3.03 |
-8.88 |
-0.32 |
0 |
|
|
34335 |
7890818 |
1 |
Cl2N2O3H10C13 |
A2B2C3D10E13 |
-38.7 |
3.07 |
-9.74 |
-1.13 |
0 |
|
|
34336 |
7890820 |
1 |
Cl2N2O3H10C13 |
A2B2C3D10E13 |
-38.34 |
3.82 |
-9.72 |
-1.11 |
0 |
|
|
34337 |
7890830 |
1 |
SCl2N2O5C14H16 |
AB2C2D5E14F16 |
-173.5 |
3.93 |
-9.37 |
-0.65 |
0 |
|
|
34338 |
7890832 |
1 |
NO6H19C22 |
AB6C19D22 |
-185.81 |
4.57 |
-8.44 |
-1.25 |
0 |
|
|
34339 |
7890838 |
1 |
N3O4C20H21 |
A3B4C20D21 |
-105.52 |
6.12 |
-9.03 |
-1.27 |
0 |
|
|
34340 |
7890843 |
1 |
N4O5C17H20 |
A4B5C17D20 |
-177.08 |
6.27 |
-9.08 |
-0.61 |
0 |
|
|
34341 |
7890846 |
1 |
NSO6C18H19 |
ABC6D18E19 |
-233.39 |
4.81 |
-8.97 |
-1.04 |
0 |
|
|
34342 |
7890851 |
1 |
N2F3O3H13C16 |
A2B3C3D13E16 |
-220.06 |
7.84 |
-9.16 |
-0.72 |
0 |
|
|
34343 |
7890852 |
1 |
N2O5H20C22 |
A2B5C20D22 |
-162.81 |
4.73 |
-8.48 |
-0.96 |
0 |
|
|
34344 |
7890856 |
1 |
ClSN2O5H15C16 |
ABC2D5E15F16 |
-172.14 |
8.02 |
-9.22 |
-0.83 |
0 |
|
|
34345 |
7890867 |
1 |
ClN2O6H13C19 |
AB2C6D13E19 |
-124.22 |
1.8 |
-9.11 |
-1.7 |
0 |
|
|
34346 |
7890868 |
1 |
SN2O3H22C23 |
AB2C3D22E23 |
-72.41 |
8.9 |
-8.39 |
-0.72 |
0 |
|
|
34347 |
7890869 |
1 |
ClN2O4H13C20 |
AB2C4D13E20 |
-59.52 |
2.8 |
-9.1 |
-1.4 |
0 |
|
|
34348 |
7890870 |
1 |
N2O3C17H18 |
A2B3C17D18 |
-99.0 |
7.35 |
-8.28 |
-0.66 |
0 |