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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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405317 135073469 1 SO3N4C12H16 AB3C4D12E16 -34.27 4.38 -9.73 -1.21 0
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405318 135073471 1 NOC18H27 ABC18D27 -46.54 0.72 -9.29 0.45 0
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405319 135073472 1 NO2H21C22 AB2C21D22 -27.97 4.36 -8.55 -0.93 0
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405320 135073473 1 O2N4H8C13 A2B4C8D13 106.91 5.02 -9.96 -1.87 0
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405321 135073475 1 NO4C13H17 AB4C13D17 -109.03 1.24 -8.94 -0.21 0
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405322 135073477 1 SiN2C20H30 AB2C20D30 0.11 0.54 -8.97 -0.28 0
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405323 135073478 1 N2O5C17H26 A2B5C17D26 -194.9 1.67 -8.05 0.19 0
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405324 135073479 1 O5C20H34 A5B20C34 -217.48 4.54 -9.24 0.16 0
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405325 135073481 1 O3C30H34 A3B30C34 -43.41 3.49 -8.73 0.09 0
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405326 135073482 1 SeO5C20H24 AB5C20D24 -183.7 4.1 -8.5 -0.58 0
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405327 135073483 2 OC6H10 AB6C10 -21.65 1.87 -9.14 0.37 0
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405328 135073487 2 O3C16H22 A3B16C22 -214.0 3.66 -9.15 0.16 0
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405329 135073488 1 OC18H26 AB18C26 -29.5 1.75 -9.1 0.47 0
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405330 135073489 1 ON4H8C12 AB4C8D12 68.0 3.4 -10.26 -1.43 0
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405331 135073494 2 OC10H13 AB10C13 -38.56 3.5 -8.94 0.17 0
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405332 135073521 1 ClNSO3C14H16 ABCD3E14F16 -68.47 4.31 -10.01 -0.88 0
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405333 135073553 1 SO2C20H26 AB2C20D26 -54.24 4.2 -9.22 -0.56 0
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405334 135073556 1 NO5C16H19 AB5C16D19 -126.46 0.71 -9.15 -0.34 0
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405335 135073557 2 O2C8H9 A2B8C9 -117.68 2.01 -9.37 0.07 0
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405336 135073558 1 O4C15H16 A4B15C16 -112.07 0.75 -9.25 -0.13 0
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405337 135073559 2 O2C8H9 A2B8C9 -123.01 1.67 -9.33 0.0 0
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405338 135073562 1 BrOC11H17 ABC11D17 -40.3 2.84 -9.6 -0.04 0
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405340 135073565 1 N2O11C16H28 A2B11C16D28 -512.62 8.44 -9.82 0.24 0
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405341 135073566 1 ClN2O9C12H13 AB2C9D12E13 -213.1 7.12 -10.75 -1.94 0
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405342 135073567 1 O10C17H24 A10B17C24 -408.05 5.39 -10.07 -0.59 0
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405343 135073568 1 NO2C11H17 AB2C11D17 -73.84 3.09 -10.97 -0.85 0
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405344 135073569 1 SP3N7O19C31H44 AB3C7D19E31F44 -937.01 7.69 -8.89 -1.15 0
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405345 135073570 1 SC11H14 AB11C14 40.93 2.39 -7.56 0.2 0
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405346 135073571 1 SC17H24 AB17C24 7.8 6.27 -7.26 0.85 0
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405347 135073572 1 SN3O3H19C22 AB3C3D19E22 22.4 1.65 -8.57 -0.98 0
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405348 135073575 1 SN2O3C20H20 AB2C3D20E20 -33.47 8.16 -8.74 -1.1 0
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405349 135073576 1 SN4O9C30H34 AB4C9D30E34 -270.73 9.33 -8.5 -1.46 1
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405350 135073577 1 SN4O9C30H35 AB4C9D30E35 -273.58 12.87 0.0 0.0 0
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405351 135073578 2 OC8H11 AB8C11 -42.91 2.43 -8.77 -0.14 0
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405352 135073579 1 SO2C16H16 AB2C16D16 10.82 3.64 -8.49 -0.57 0
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405353 135073580 1 OF3H11C16 AB3C11D16 -102.01 5.54 -8.91 -0.68 0
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405354 135073581 1 O3C16H24 A3B16C24 -112.74 3.9 -8.72 0.28 0
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405355 135073582 1 OPC15H17 ABC15D17 -37.12 5.16 -9.31 0.03 0
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405356 135073583 1 OPC24H35 ABC24D35 -59.02 4.96 -9.1 0.04 0
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405357 135073584 1 BrNOC24H24 ABCD24E24 12.11 4.73 -8.96 -0.26 0
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405358 135073585 1 BrNO3C24H24 ABC3D24E24 -47.26 4.65 -8.78 -0.08 0
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405359 135073603 1 NO2C18H19 AB2C18D19 -25.39 4.95 -9.06 -0.11 0
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405360 135073606 1 SN2O5C14H18 AB2C5D14E18 -146.64 4.34 -8.67 -1.05 0
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405361 135073637 1 SO2C18H18 AB2C18D18 -12.72 9.11 -9.32 -0.61 0
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405362 135073641 1 OC11H12 AB11C12 -1.54 0.42 -9.21 0.15 0
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405363 135073642 1 NBr2O2C7H7 AB2C2D7E7 2.71 2.37 -9.22 -1.06 0
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405364 135073660 1 BrNO4C20H22 ABC4D20E22 -107.34 1.64 -9.03 -0.29 0
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405365 135073690 1 OSiC20H28 ABC20D28 13.15 2.99 -9.13 -0.12 0
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405366 135073693 1 NO5C25H35 AB5C25D35 -223.26 1.3 -8.26 0.14 0
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405367 135073694 1 NO5C19H23 AB5C19D23 -169.32 1.33 -8.26 0.11 0