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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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327627 126690556 2 NO2C12H15 AB2C12D15 -155.06 6.04 -9.3 -0.1 0
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327628 126690557 2 NOC12H14 ABC12D14 -45.98 2.85 -8.51 0.18 0
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327629 126690560 1 BrClSO3N5C24H25 ABCD3E5F24G25 42.41 5.33 -8.24 -1.03 0
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327630 126690561 1 IN5C14H16 AB5C14D16 98.35 3.51 -8.52 -2.45 0
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327631 126690563 1 OSCl2N4C16H22 ABC2D4E16F22 -43.2 5.07 -8.7 -0.24 0
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327632 126690566 1 ClN2C12H19 AB2C12D19 4.73 2.7 -8.84 -0.09 0
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327633 126690571 1 ION3H14C19 ABC3D14E19 92.11 2.14 -8.96 -2.66 0
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327634 126690572 1 SO3N4C20H26 AB3C4D20E26 -62.12 2.46 -9.5 -1.24 0
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327635 126690573 1 IN2O3C17H25 AB2C3D17E25 -128.61 4.22 -9.51 -1.61 0
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327636 126690575 1 N2F3O8H37C39 A2B3C8D37E39 -303.07 5.39 -9.24 -1.08 0
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327637 126690582 1 F3N4O5H37C42 A3B4C5D37E42 -234.49 8.85 -8.28 -1.0 1
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327638 126690584 1 SF2N4O4H17C19 AB2C4D4E17F19 -153.8 5.68 0.0 0.0 0
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327639 126690585 1 N2F3O6H35C40 A2B3C6D35E40 -301.55 3.59 -8.86 -0.94 0
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327640 126690592 1 N4O6C39H42 A4B6C39D42 -148.14 6.11 -8.95 -0.38 0
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327641 126690593 1 F3N5O7C44H58 A3B5C7D44E58 -402.36 7.29 -8.84 -0.53 0
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327642 126690595 1 F6N9O11H55C64 A6B9C11D55E64 -486.24 15.17 -9.29 -1.41 0
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327643 126690596 1 ON6C21H22 AB6C21D22 69.81 5.12 -9.13 -1.09 0
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327644 126690597 1 ON6C19H22 AB6C19D22 45.59 2.04 -8.7 -0.42 0
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327645 126690605 1 F3N4O6H31C35 A3B4C6D31E35 -271.79 8.63 -9.35 -1.08 0
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327646 126690612 1 SO2N5C14H15 AB2C5D14E15 4.63 6.75 -8.48 -0.45 0
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327647 126690617 1 O2N4C21H24 A2B4C21D24 3.16 3.28 -9.42 -0.84 0
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327648 126690621 1 SO3C10H16 AB3C10D16 -142.6 2.06 -8.82 0.01 0
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327649 126690627 1 ClO3N4C33H41 AB3C4D33E41 -64.31 6.49 -8.59 -0.45 0
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327650 126690634 1 NO2C19H25 AB2C19D25 -66.55 2.75 -8.16 0.27 0
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327651 126690639 1 ON2C23H30 AB2C23D30 58.49 1.48 -8.19 -0.39 0
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327652 126690645 2 OC11H15 AB11C15 -80.39 2.34 -8.45 0.23 0
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327653 126690647 1 SO3N5C18H25 AB3C5D18E25 -86.69 7.34 -9.02 -0.62 0
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327654 126690651 1 BrSN2O3C11H13 ABC2D3E11F13 -59.79 4.25 -9.99 -1.3 0
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327655 126690654 1 N2O7C38H42 A2B7C38D42 -238.06 4.04 -8.95 -0.58 0
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327656 126690655 1 F3N4O6H31C37 A3B4C6D31E37 -214.27 7.51 -9.25 -1.07 0
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327657 126690657 1 BrN2C13H17 AB2C13D17 57.41 1.82 -7.92 -0.13 0
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327658 126690658 1 N4O4H34C39 A4B4C34D39 1.77 6.49 -9.1 -0.92 0
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327659 126690662 1 F3N3O6H34C35 A3B3C6D34E35 -341.34 9.09 -9.34 -0.91 0
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327660 126690664 1 ClNC9H20 ABC9D20 -51.89 3.16 -9.07 0.86 0
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327661 126690667 1 NOC8H13 ABC8D13 -32.72 1.14 -7.97 0.42 0
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327662 126690668 1 N2O3C15H18 A2B3C15D18 -86.19 5.67 -9.69 -0.78 0
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327663 126690671 1 NO2C23H23 AB2C23D23 -20.53 4.27 -8.87 -0.76 0
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327664 126690672 1 BrSO2N3C8H10 ABC2D3E8F10 -25.46 5.96 -8.9 -0.47 0
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327665 126690683 1 O5N6H30C38 A5B6C30D38 61.49 2.54 -9.2 -1.72 0
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327666 126690686 1 F3N3O6H36C40 A3B3C6D36E40 -309.45 8.59 -8.27 -1.05 0
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327667 126690688 1 SF3N3O7H38C40 AB3C3D7E38F40 -347.68 4.43 -9.1 -0.88 0
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327668 126690689 1 F3N3O6H40C42 A3B3C6D40E42 -294.84 6.08 -8.84 -0.9 0
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327669 126690692 1 N2O3H24C26 A2B3C24D26 -26.31 3.55 -8.62 -0.64 0
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327670 126690693 1 N2F4O7H34C40 A2B4C7D34E40 -369.5 5.96 -9.27 -1.06 0
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327671 126690694 1 N4O4H20C21 A4B4C20D21 -46.99 9.55 -9.35 -1.23 0
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327672 126690695 1 SN4O5H34C40 AB4C5D34E40 -31.35 6.93 -8.65 -1.05 0
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327673 126690698 1 BrSN2O2C14H15 ABC2D2E14F15 -29.92 3.21 -9.71 -0.79 0
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327674 126690701 1 OF2N6H22C23 AB2C6D22E23 -29.19 4.37 -9.17 -0.9 0
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327675 126690703 1 BrON2C11H13 ABC2D11E13 -12.96 2.11 -9.4 -1.01 0
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327676 126690704 1 SO3N4C16H20 AB3C4D16E20 -67.27 6.06 -9.49 -1.28 0