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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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179434 76482852 1 N4O5C27H28 A4B5C27D28 -131.19 6.39 -8.9 -0.6 0
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179435 76483019 1 NO4C29H39 AB4C29D39 -169.71 2.95 -8.12 0.47 0
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179436 76483163 1 ON3C17H21 AB3C17D21 19.7 2.12 -8.68 -0.16 0
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179437 76483164 1 S2N6O13C35H40 A2B6C13D35E40 -342.04 11.18 -8.96 -1.27 0
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179438 76483165 1 SN2O6C21H28 AB2C6D21E28 -232.97 7.78 -9.54 -0.33 0
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179439 76483166 1 ON6C29H34 AB6C29D34 93.75 9.16 -8.44 -0.37 0
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179440 76483167 1 N2O2C19H24 A2B2C19D24 -67.42 2.99 -8.15 0.21 0
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179441 76483171 1 O6C31H48 A6B31C48 -343.39 7.18 -9.51 0.52 0
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179442 76483637 1 I2C7H12 A2B7C12 -2.85 3.98 -8.83 -1.08 1
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179443 76483688 1 N4O7C28H37 A4B7C28D37 -262.42 3.1 0.0 0.0 1
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179444 76483960 1 ClO4N6C22H22 AB4C6D22E22 -15.46 1.7 0.0 0.0 0
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179445 76484344 2 OC31H50 AB31C50 -222.37 1.71 -8.4 -0.17 0
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179446 76484408 1 IS2N5O7C40H40 AB2C5D7E40F40 -107.58 6.22 -8.91 -1.72 0
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179447 76484584 1 O5C27H42 A5B27C42 -285.33 2.62 -9.32 0.77 1
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179448 76484617 1 SN3O6C23H36 AB3C6D23E36 -266.29 4.72 0.0 0.0 0
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179449 76485090 1 N5O7C31H47 A5B7C31D47 -311.74 6.01 -9.21 0.09 0
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179450 76485091 1 O5C21H36 A5B21C36 -273.26 5.09 -9.82 0.54 0
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179451 76485248 1 O3N6C13H18 A3B6C13D18 -30.52 1.95 -9.07 -0.5 1
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179452 76485249 1 ClS3N4O7C28H36 AB3C4D7E28F36 -248.99 9.37 0.0 0.0 0
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179453 76485250 1 ClS2N5O9C24H28 AB2C5D9E24F28 -327.37 1.25 -9.16 -1.2 1
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179454 76485251 1 BrNCl2O4C16H17 ABC2D4E16F17 -159.51 3.56 0.0 0.0 1
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179455 76485252 1 BrN3O6C19H19 AB3C6D19E19 -174.88 9.59 0.0 0.0 0
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179456 76485253 1 N4O6H18C23 A4B6C18D23 -115.73 9.8 -9.5 -1.97 0
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179457 76485312 1 NO4C16H25 AB4C16D25 -84.05 2.1 -9.06 0.6 0
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179458 76486082 1 FNO3C36H52 ABC3D36E52 -230.04 5.34 -8.71 0.0 0
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179459 76486083 1 NOH15C16 ABC15D16 97.2 4.37 -8.71 -1.18 1
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179460 76486084 1 SN5O7C30H44 AB5C7D30E44 -286.38 2.97 0.0 0.0 0
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179461 76486085 1 O4N5H33C36 A4B5C33D36 -21.77 6.09 -9.44 -0.99 0
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179462 76486086 1 NSO5C17H17 ABC5D17E17 -142.8 1.51 -9.43 -0.74 0
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179463 76486087 1 ClFN2O3H8C15 ABC2D3E8F15 -73.99 7.96 -10.35 -2.53 0
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179464 76486210 1 SCl2F3O8C35H37 AB2C3D8E35F37 -452.56 5.1 -9.23 -1.82 0
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179465 76486211 1 BrFN2O5C12H16 ABC2D5E12F16 -268.14 3.37 -10.22 -0.48 0
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179466 76486274 1 ClNO5C16H18 ABC5D16E18 -169.16 4.52 -10.39 -1.23 0
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179467 76486275 1 N4O4C25H34 A4B4C25D34 -155.25 4.87 -9.23 -0.22 0
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179468 76486276 1 NSiO6C31H47 ABC6D31E47 -307.57 5.37 -8.88 -0.36 0
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179469 76486277 1 NSO5C20H23 ABC5D20E23 -154.19 3.73 -9.27 -0.98 0
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179470 76486278 1 SSiN2O2C21H34 ABC2D2E21F34 -113.86 6.39 -8.59 -1.23 0
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179471 76486768 1 N2O4C23H32 A2B4C23D32 -180.14 7.81 -10.04 -0.88 0
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179472 76487412 1 SF5O8C36H39 AB5C8D36E39 -537.01 2.71 -9.44 -1.69 0
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179473 76487708 2 ON2C6H7 AB2C6D7 14.03 7.09 -8.88 -0.61 0
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179474 76488250 2 NSO3C8H11 ABC3D8E11 -252.0 3.26 -9.01 -1.47 0
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179475 76488596 1 NO2C20H33 AB2C20D33 -128.34 5.62 -9.35 0.83 0
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179476 76488796 1 N8O13C21H26 A8B13C21D26 -462.88 5.49 -10.37 -0.84 0
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179477 76488860 2 N2O2C12H15 A2B2C12D15 -136.19 4.1 -8.97 -0.48 0
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179478 76488861 1 NO4C9H13 AB4C9D13 -142.0 4.55 -9.51 -0.07 0
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179479 76488862 1 ClO4C22H29 AB4C22D29 -180.63 5.99 -9.1 -0.25 0
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179480 76488863 1 N3O5C31H39 A3B5C31D39 -151.32 1.93 -9.14 -0.52 0
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179481 76488864 1 NPS3O5C10H14 ABC3D5E10F14 -250.94 5.64 -9.65 -1.34 0
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179482 76488865 1 NO4C24H47 AB4C24D47 -277.4 2.63 -10.01 0.66 0
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179483 76489114 1 NSO4C10H13 ABC4D10E13 -152.21 5.61 -9.64 -0.3 0