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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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176451 76050680 1 N2S2O3C17H22 A2B2C3D17E22 -95.32 2.44 -8.72 -0.24 0
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176452 76050681 1 N3O3C15H17 A3B3C15D17 -40.91 6.25 -9.14 -2.28 0
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176453 76050754 1 O3N5C13H19 A3B5C13D19 -48.05 5.99 -9.25 -1.31 0
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176454 76050807 2 ON2H6C10 AB2C6D10 94.39 3.56 -9.67 -2.3 0
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176455 76050808 2 NO2H7C11 AB2C7D11 -7.49 6.48 -9.65 -2.09 0
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176456 76050809 1 ClO2N4C23H23 AB2C4D23E23 -29.83 3.77 -8.76 -0.34 0
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176457 76050956 1 SN3O3C14H21 AB3C3D14E21 -139.22 8.94 -8.83 -0.48 0
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176458 76051102 1 N3O3C19H27 A3B3C19D27 -88.53 5.16 -8.6 0.11 0
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176459 76051103 1 O2N5C17H21 A2B5C17D21 -29.8 6.77 -9.95 -0.22 1
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176460 76051170 1 ON4C20H21 AB4C20D21 41.47 0.76 0.0 0.0 0
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176461 76051662 1 N2O3C19H26 A2B3C19D26 -128.02 1.53 -9.97 -1.38 0
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176462 76052012 1 ClN3O4C14H18 AB3C4D14E18 -164.94 3.87 -9.62 -0.42 0
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176463 76053089 1 O3N4C18H22 A3B4C18D22 -78.29 0.81 -9.26 -0.48 0
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176464 76053402 1 O3N4C17H20 A3B4C17D20 -37.09 10.64 -8.95 -0.68 0
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176465 76053612 1 SO3N4C16H24 AB3C4D16E24 -72.77 3.86 -8.88 -0.85 0
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176466 76053613 1 FO3N4C17H21 AB3C4D17E21 -150.12 5.72 -9.51 -0.18 0
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176467 76053895 2 NOC8H12 ABC8D12 -86.54 1.63 -9.23 0.19 0
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176468 76054236 1 O2N4C17H24 A2B4C17D24 -43.04 7.63 -8.93 -0.7 0
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176469 76054332 1 SN4O4C17H22 AB4C4D17E22 -116.16 5.46 -8.8 -1.11 0
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176470 76054333 1 N4O4C17H18 A4B4C17D18 -112.21 7.63 -8.87 -0.74 0
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176471 76054446 1 O2N5C17H19 A2B5C17D19 16.08 7.87 -9.52 -1.63 0
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176472 76054447 1 O2N5C15H23 A2B5C15D23 -44.91 5.58 -9.26 0.19 0
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176473 76054480 1 O2N5C13H21 A2B5C13D21 -54.77 2.73 -9.12 0.04 0
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176474 76055344 2 SN2O7C13H17 AB2C7D13E17 -601.17 4.45 -9.78 -1.99 0
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176475 76055660 1 N2O4C23H32 A2B4C23D32 -154.24 5.79 -8.8 0.08 1
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176476 76055661 1 O3N5C33H60 A3B5C33D60 -197.7 5.04 0.0 0.0 0
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176477 76056587 1 O2N5C24H27 A2B5C24D27 -5.31 3.42 -8.74 -0.73 0
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176478 76056691 1 S2N5O9C25H29 A2B5C9D25E29 -253.99 8.48 -9.14 -0.78 0
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176479 76056819 1 O2N4C13H14 A2B4C13D14 27.05 3.76 -9.26 -2.35 1
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176480 76057951 1 N7O7C27H40 A7B7C27D40 -257.21 13.59 0.0 0.0 0
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176481 76058161 1 N3O7C22H23 A3B7C22D23 -243.51 6.12 -9.81 -1.94 0
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176482 76058189 1 BrO4C24H39 AB4C24D39 -210.54 3.34 -9.16 -0.26 0
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176483 76058190 1 NO5C24H25 AB5C24D25 -159.95 3.32 -9.12 -1.22 0
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176484 76058191 2 SN3O3C20H25 AB3C3D20E25 -133.32 6.45 -8.53 -1.21 0
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176485 76058192 1 S2N4O7C18H22 A2B4C7D18E22 -245.91 7.51 -10.06 -0.9 0
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176486 76058498 1 ClON7C27H30 ABC7D27E30 99.8 7.96 -8.29 -0.88 0
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176487 76059106 1 SN4O6C32H32 AB4C6D32E32 -143.82 7.74 -9.35 -0.66 0
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176488 76059152 1 SN2O4C11H24 AB2C4D11E24 -209.23 3.69 -9.61 0.22 0
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176489 76059593 1 N4O5C38H42 A4B5C38D42 -127.48 7.15 -8.1 -0.27 0
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176490 76059817 1 ON7C29H35 AB7C29D35 92.28 9.24 -8.35 -0.84 0
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176491 76059942 1 NO2C20H39 AB2C20D39 -151.65 5.09 -9.29 1.14 0
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176492 76060225 1 ON5C7H15 AB5C7D15 -28.79 3.74 -9.14 0.96 0
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176493 76060240 2 O2C11H18 A2B11C18 -197.88 5.0 -9.87 0.56 1
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176494 76060241 1 NPSO5C24H31 ABCD5E24F31 -242.05 3.3 0.0 0.0 1
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176495 76060242 1 O2N4C5H7 A2B4C5D7 0.23 7.85 0.0 0.0 0
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176496 76060243 1 N5O5C34H39 A5B5C34D39 -125.53 4.54 -9.01 -0.4 0
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176497 76060295 1 NO2C17H19 AB2C17D19 -50.87 3.65 -9.06 -0.72 0
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176498 76060479 1 N4O9H26C36 A4B9C26D36 -107.83 8.04 -10.05 -1.82 0
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176499 76061093 1 N3O3C7H11 A3B3C7D11 -125.4 1.62 -10.2 -0.34 0
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176500 76061664 1 PF2O4N5C11H16 AB2C4D5E11F16 -266.75 7.36 -9.72 -1.14 1