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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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606 3066 1 N5O5C33H37 A5B5C33D37 -157.17 5.65 -8.44 -0.08 0
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607 3067 1 N5O5C31H39 A5B5C31D39 -189.17 9.13 -8.55 -0.63 0
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608 3068 1 O12C29H46 A12B29C46 -582.84 12.62 -9.79 0.74 0
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609 3069 1 N7O12C21H41 A7B12C21D41 -513.38 2.07 -9.2 0.7 0
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610 3073 1 PO3C7H17 AB3C7D17 -228.39 1.92 -10.52 1.27 0
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611 3080 1 OS2C3H8 AB2C3D8 -52.95 1.75 -9.12 0.05 0
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612 3081 1 NO3C5H7 AB3C5D7 -136.33 2.7 -11.05 -0.4 0
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613 3082 1 NPS2O3C5H12 ABC2D3E5F12 -207.92 7.06 -9.2 -0.81 0
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614 3086 1 C4O5H6 A4B5C6 -200.11 1.19 -11.92 -1.08 0
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615 3087 1 NO5C43H86 AB5C43D86 -365.45 3.81 0.0 0.0 1
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616 3089 1 O2S2N3C19H25 A2B2C3D19E25 -28.02 5.1 -7.86 -0.82 0
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617 3090 1 O2N3C5H7 A2B3C5D7 18.98 5.86 -10.12 -1.15 0
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618 3092 1 N3O5H7C8 A3B5C7D8 -33.48 5.18 -11.28 -2.16 0
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619 3093 2 O2C9H17 A2B9C17 -246.84 2.09 -10.79 0.61 0
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620 3095 1 NO3C24H27 AB3C24D27 -86.9 0.83 -7.89 0.13 0
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621 3096 1 O15C28H32 A15B28C32 -591.99 6.32 -9.1 -1.28 0
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622 3097 2 O2H6C7 A2B6C7 -110.22 3.97 -8.51 -0.85 0
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623 3100 1 NOC17H21 ABC17D21 7.43 1.37 -8.82 0.21 0
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625 3102 1 OH10C13 AB10C13 18.62 3.43 -9.95 -0.7 0
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626 3104 1 P3N5C11O12H18 A3B5C11D12E18 -638.47 3.18 -9.11 -0.59 0
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627 3105 1 NO5C19H29 AB5C19D29 -225.79 5.88 -8.88 -0.06 0
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628 3106 1 NO2C14H23 AB2C14D23 -89.66 3.08 -8.44 -0.02 0
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629 3107 1 N3O4C17H31 A3B4C17D31 -219.29 7.67 -9.93 0.37 0
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630 3108 4 ON2C6H10 AB2C6D10 -130.67 4.62 -8.01 -0.79 0
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631 3110 1 SN3O4C13H16 AB3C4D13E16 -74.02 11.66 0.0 0.0 -1
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632 3112 2 NO4C10H12 AB4C10D12 -320.83 7.43 -9.94 -0.93 0
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633 3114 1 ON3C21H29 AB3C21D29 -13.84 3.06 -8.24 -0.39 0
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634 3115 1 O4N9C22H27 A4B9C22D27 -72.76 6.6 -8.52 -0.42 0
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636 3117 2 NS2C5H10 AB2C5D10 11.54 1.91 -8.3 -1.24 0
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637 3119 2 ON3C23H25 AB3C23D25 120.93 0.74 -3.99 -3.14 2
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638 3120 1 OCl2N2C9H10 AB2C2D9E10 -36.2 6.85 -8.92 -0.42 0
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639 3121 2 OC4H8 AB4C8 -124.53 5.0 -10.74 0.71 0
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640 3122 1 NPO5C7H16 ABC5D7E16 -298.37 4.5 -10.4 0.68 0
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641 3123 1 NPO5C8H18 ABC5D8E18 -307.79 7.53 -9.84 0.79 0
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642 3124 1 ON5C7H11 AB5C7D11 -4.43 7.05 -8.2 -0.06 0
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643 3125 1 NO3C10H13 AB3C10D13 -120.85 5.67 -9.3 -0.3 0
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644 3128 1 ClNC10H14 ABC10D14 -2.08 2.93 -9.12 0.01 0
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645 3129 1 N2O3C23H38 A2B3C23D38 -155.91 5.11 -8.87 -0.06 0
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646 3132 1 NSO3C12H15 ABC3D12E15 -115.67 5.76 -9.53 -0.16 0
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647 3133 1 O4C19H20 A4B19C20 -105.28 5.13 -8.54 -0.78 0
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648 3136 2 O2H5C6 A2B5C6 -88.74 2.37 -8.83 -1.85 0
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649 3140 2 HN2O3C4 AB2C3D4 44.19 1.67 -10.52 -3.92 0
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650 3142 1 SN2O8C21H30 AB2C8D21E30 -335.17 1.56 -8.86 -0.76 0
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651 3144 2 OC11H16 AB11C16 -52.13 5.58 -9.43 0.51 0
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652 3145 2 OC11H17 AB11C17 -74.55 4.88 -9.44 0.57 0
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653 3146 2 OC11H19 AB11C19 -122.21 5.62 -9.73 0.81 0
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654 3147 1 N2O2C23H23 A2B2C23D23 26.78 3.69 0.0 0.0 1
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655 3148 1 N2O3C19H20 A2B3C19D20 59.83 13.33 -7.27 -1.5 0
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656 3150 1 NO6C15H21 AB6C15D21 -255.6 1.9 -9.93 0.02 0
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657 3151 1 ClO2N5C22H24 AB2C5D22E24 -39.47 4.72 -8.75 -0.49 0