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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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383109 134974655 1 NSO3C15H21 ABC3D15E21 -116.83 7.77 -9.43 -0.57 0
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383110 134974656 1 ON2H14C20 AB2C14D20 123.61 4.52 -8.01 -1.48 0
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383111 134974658 1 OSN2C20H20 ABC2D20E20 34.11 3.79 -8.77 -1.45 0
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383112 134974660 1 OSN2H18C23 ABC2D18E23 77.44 3.71 -8.84 -1.36 0
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383113 134974661 1 OSN2H18C23 ABC2D18E23 76.4 3.41 -8.87 -1.29 0
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383114 134974663 1 SN2O2C23H24 AB2C2D23E24 -9.38 3.57 -8.63 -1.28 0
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383115 134974664 4 OC5H9 AB5C9 -213.91 4.89 -9.3 0.94 0
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383116 134974665 2 O2C8H15 A2B8C15 -222.47 5.0 -9.73 1.02 0
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383117 134974666 1 O5C19H30 A5B19C30 -227.19 6.43 -9.67 -0.4 0
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383118 134974668 1 NSO2C19H21 ABC2D19E21 -11.52 4.62 -7.42 -0.52 0
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383119 134974669 2 N2O2C13H15 A2B2C13D15 -106.43 6.69 -8.86 -0.41 0
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383120 134974670 1 N5O5C27H31 A5B5C27D31 -139.93 6.01 -8.74 -0.31 0
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383121 134974674 1 O3C12H20 A3B12C20 -160.76 1.51 -9.12 0.65 0
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383122 134974677 1 O3C24H34 A3B24C34 -117.25 2.47 -9.22 0.42 0
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383123 134974679 1 SN2O5C19H22 AB2C5D19E22 -157.07 5.42 -9.92 -1.22 2
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383124 134974680 1 NO2C4H7 AB2C4D7 -48.39 2.77 -7.1 0.47 0
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383125 134974681 1 O2F3N4C9H11 A2B3C4D9E11 -182.52 5.96 -8.86 -1.08 0
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383126 134974682 1 NO2C13H15 AB2C13D15 -58.0 1.43 -9.43 -0.18 0
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383127 134974683 1 Br2O3C11H14 A2B3C11D14 -115.38 6.14 -9.02 -0.45 0
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383130 134974689 1 N3O4H17C20 A3B4C17D20 -94.02 5.12 -8.7 -1.08 0
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383131 134974690 6 OC6H6 AB6C6 -135.17 2.6 -8.37 -1.19 0
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383132 134974692 1 NSiO3C12H21 ABC3D12E21 -122.18 4.03 -9.29 -0.6 1
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383133 134974694 1 N6O14C35H51 A6B14C35D51 -590.1 10.96 0.0 0.0 0
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383135 134974696 1 NH12C15 AB12C15 76.62 1.82 0.0 0.0 1
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383136 134974697 1 N2H19C23 A2B19C23 110.56 1.09 0.0 0.0 0
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383137 134974698 1 N2H18C23 A2B18C23 118.69 3.06 -8.57 -0.31 0
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383138 134974699 1 NOSC19H23 ABCD19E23 -21.91 2.43 -8.61 -0.2 0
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383139 134974700 1 NOSC19H23 ABCD19E23 -25.58 2.57 -8.75 -0.24 0
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383140 134974701 1 NO4C24H27 AB4C24D27 -117.31 3.08 -9.03 -0.23 1
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383141 134974702 1 PO4C9H18 AB4C9D18 -219.99 4.34 0.0 0.0 1
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383142 134974703 1 O2N4H25C26 A2B4C25D26 19.94 2.91 0.0 0.0 1
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383143 134974704 1 O2N4H23C25 A2B4C23D25 23.49 2.4 0.0 0.0 0
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383144 134974705 1 O2N4H22C25 A2B4C22D25 6.66 4.66 -8.93 -0.53 0
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383145 134974706 1 O2N4H22C25 A2B4C22D25 78.58 14.95 -7.52 -2.52 0
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383146 134974709 2 ON2C11H12 AB2C11D12 -33.16 3.3 -8.89 -0.37 1
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383147 134974711 1 O2N4C22H25 A2B4C22D25 -20.18 2.25 0.0 0.0 0
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383148 134974712 2 ON2H12C13 AB2C12D13 3.36 5.23 -8.91 -0.35 1
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383149 134974713 1 O2N3C6H12 A2B3C6D12 -44.42 8.04 0.0 0.0 0
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383150 134974714 1 O2N3C6H11 A2B3C6D11 -62.94 2.98 -8.61 -0.34 1
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383151 134974715 1 Br2O2N5C11H14 A2B2C5D11E14 -13.42 8.34 0.0 0.0 0
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383152 134974716 1 Br2O2N5C11H13 A2B2C5D11E13 -32.79 2.91 -8.52 -0.72 0
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383153 134974717 1 PN3H36C48 AB3C36D48 261.63 5.66 -7.44 -0.31 0
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383154 134974718 1 O4C19H26 A4B19C26 -126.5 3.02 -8.5 0.54 0
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383155 134974719 1 SN2O2C16H16 AB2C2D16E16 9.96 6.8 -9.54 -0.4 0
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383156 134974720 2 NOH10C12 ABC10D12 43.09 2.93 -8.72 -0.28 0
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383157 134974723 1 NO3C20H31 AB3C20D31 -137.37 3.45 -9.19 0.33 0
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383158 134974724 1 NO4C21H37 AB4C21D37 -234.18 3.56 -9.46 0.79 0
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383159 134974726 1 N2O3C17H30 A2B3C17D30 -135.31 2.85 -8.94 0.94 0
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383160 134974727 1 N2O2C17H32 A2B2C17D32 -138.82 3.06 -8.96 1.16 0
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383161 134974728 1 I2N2O2C17H28 A2B2C2D17E28 -58.24 2.75 -9.39 -1.29 0