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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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394578 135023252 2 O5C7H10 A5B7C10 -452.46 1.97 -10.49 0.14 0
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394579 135023253 1 O19C28H38 A19B28C38 -854.11 4.37 -10.38 0.22 0
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394580 135023254 2 O9C13H18 A9B13C18 -815.35 5.03 -10.08 0.35 0
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394581 135023255 1 NF3O18C34H40 AB3C18D34E40 -902.93 6.12 -9.56 -1.0 0
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394582 135023256 2 O3C16H22 A3B16C22 -273.35 3.43 -9.18 -0.55 0
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394583 135023257 1 SiO2C20H32 AB2C20D32 -118.71 2.12 -8.74 -0.39 0
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394584 135023258 1 O3C30H34 A3B30C34 -71.94 4.94 -8.78 -0.12 0
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394585 135023259 1 NSC7H9 ABC7D9 33.66 4.22 -9.07 -0.38 0
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394587 135023261 1 N2O6C27H44 A2B6C27D44 -283.82 8.69 -9.67 0.51 0
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394588 135023262 2 ON3C10H15 AB3C10D15 -31.84 7.33 -8.36 -0.23 0
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394589 135023263 1 O2N6C17H26 A2B6C17D26 -20.84 8.37 -8.52 -0.2 0
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394590 135023264 1 O2N6C21H34 A2B6C21D34 -41.43 5.41 -8.84 -0.22 0
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394595 135023269 1 OC15H24 AB15C24 -46.42 1.28 -9.42 1.39 0
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394596 135023270 1 SiO3N4C15H24 AB3C4D15E24 -140.69 5.26 -9.16 -0.4 0
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394597 135023271 2 O3C6H10 A3B6C10 -278.89 2.87 -9.96 -0.03 0
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394599 135023273 1 OC15H22 AB15C22 28.19 2.38 -9.6 0.32 0
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394601 135023275 1 NO2C18H31 AB2C18D31 -121.72 2.46 -9.27 0.92 0
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394602 135023276 1 NO3C18H33 AB3C18D33 -188.64 1.68 -9.26 1.0 0
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394603 135023277 1 INO2C18H32 ABC2D18E32 -130.17 3.05 -9.4 -0.78 0
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394604 135023278 1 CuN2F3C28H39 AB2C3D28E39 -36.72 1.44 0.0 0.0 2
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394605 135023279 1 NiP2F6C16H34 AB2C6D16E34 -287.13 36.2 -6.48 -0.96 0
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394606 135023280 1 CuN2C28H42 AB2C28D42 84.02 1.21 0.0 0.0 0
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394607 135023281 1 NO9C37H49 AB9C37D49 -335.62 4.34 -8.27 -0.92 0
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394608 135023282 1 NO9C33H39 AB9C33D39 -209.78 9.24 -9.59 -1.77 0
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394609 135023283 1 F3O3H13C15 A3B3C13D15 -246.04 7.06 -9.57 -1.03 0
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394610 135023284 1 O2F3C24H29 A2B3C24D29 -249.38 4.23 -8.65 0.26 0
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394611 135023285 1 SeF3H13C16 AB3C13D16 -108.17 2.57 -8.49 -0.69 0
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394612 135023286 1 SiO3C15H28 AB3C15D28 -193.98 1.7 -8.87 0.11 0
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394613 135023287 1 PO2C31H31 AB2C31D31 -12.82 4.68 -8.71 -0.05 0
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394614 135023288 1 OC14H26 AB14C26 -79.66 2.25 -9.53 1.13 0
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394615 135023289 1 NO6C22H27 AB6C22D27 -129.17 9.78 -9.3 -1.17 0
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394616 135023290 1 O2C17H20 A2B17C20 -34.71 2.11 -9.5 0.26 0
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394617 135023291 2 OC11H12 AB11C12 -3.71 1.35 -9.44 -0.69 0
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394618 135023292 1 SiO2C22H34 AB2C22D34 -79.89 1.06 -9.06 -0.69 0
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394619 135023296 1 SiO2C24H38 AB2C24D38 -91.02 1.19 -9.05 -0.63 0
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394620 135023299 1 FO2N7H26C28 AB2C7D26E28 24.27 1.35 -8.2 -0.81 0
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394621 135023300 2 OC7H8 AB7C8 -53.05 4.5 -9.58 -0.79 0
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394622 135023301 2 OC11H11 AB11C11 51.58 2.84 -9.15 0.26 0
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394624 135023303 1 ON3C18H27 AB3C18D27 -15.04 3.12 -8.2 0.46 0
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394625 135023304 1 OC14H14 AB14C14 15.57 1.97 -9.15 -0.08 1
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394626 135023305 1 IO3C6H8 AB3C6D8 -86.98 2.88 0.0 0.0 0
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394628 135023307 1 OH16C18 AB16C18 11.98 1.38 -8.53 -0.58 0
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394629 135023308 1 ClRhC2P2H12 ABC2D2E12 -84.53 3.19 -10.25 -4.11 0
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394630 135023332 1 ClO4N5C17H30 AB4C5D17E30 -171.11 5.19 -9.44 -0.56 1
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394631 135023334 1 O2N7C24H32 A2B7C24D32 -11.15 5.46 0.0 0.0 0
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394632 135023340 1 NO6C24H35 AB6C24D35 -284.93 3.02 -9.36 0.12 0
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394633 135023345 1 SiN3O6C33H61 AB3C6D33E61 -363.48 5.48 -8.87 0.38 0
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394635 135023350 2 BrON2C15H18 ABC2D15E18 -33.21 3.52 -9.57 -0.82 0
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394636 135023351 1 SiO7C37H50 AB7C37D50 -302.06 2.04 -9.0 0.13 0
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394637 135023360 1 N2O5C32H32 A2B5C32D32 -115.88 2.56 -8.34 -0.01 1