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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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293700 117397137 1 NSO3C12H19 ABC3D12E19 -119.0 7.76 -9.29 -0.24 0
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293701 117397140 1 SN3C14H15 AB3C14D15 62.71 3.52 -8.34 -0.28 0
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293702 117397150 1 NO2S2C11H15 AB2C2D11E15 -44.82 3.5 -9.12 -0.9 0
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293703 117397173 1 N3C16H23 A3B16C23 29.39 2.03 -8.51 0.12 0
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293704 117397181 1 N3C16H23 A3B16C23 34.14 3.48 -9.03 0.02 0
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293705 117397205 1 N3C16H23 A3B16C23 18.78 2.3 -7.94 0.43 0
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293706 117397206 1 N3C16H23 A3B16C23 18.0 1.13 -7.9 0.49 0
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293707 117397215 1 N3C16H23 A3B16C23 31.8 1.56 -8.9 0.0 0
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293708 117397222 1 N3C16H23 A3B16C23 36.18 3.79 -8.61 0.02 0
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293709 117397233 1 NC18H27 AB18C27 -10.99 2.17 -9.09 0.5 0
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293710 117397264 1 NC18H27 AB18C27 -15.49 1.82 -8.98 0.46 0
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293711 117397281 1 NC18H27 AB18C27 -14.51 2.25 -8.9 0.48 0
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293712 117397293 1 NC18H27 AB18C27 -4.98 2.12 -9.2 0.38 0
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293713 117397321 1 NC18H27 AB18C27 -14.86 1.18 -9.13 0.52 0
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293714 117397328 1 ClFNO4H5C10 ABCD4E5F10 -117.24 1.99 -9.24 -2.43 0
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293715 117397332 1 ClFNO4H5C10 ABCD4E5F10 -113.34 1.79 -9.21 -2.4 0
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293716 117397360 1 ClFO2N3H9C10 ABC2D3E9F10 -32.82 2.54 -9.3 -1.0 0
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293717 117397393 1 ClNOF2H10C12 ABCD2E10F12 -109.95 5.01 -9.95 -0.88 0
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293718 117397394 1 ClNOF2H10C12 ABCD2E10F12 -106.76 3.71 -9.98 -1.04 0
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293719 117397407 1 ClNOF2H10C12 ABCD2E10F12 -108.12 3.17 -10.03 -0.87 0
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293720 117397610 1 ClNO3C12H16 ABC3D12E16 -123.4 4.74 -9.33 -0.04 0
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293721 117397613 1 ClNO3C12H16 ABC3D12E16 -124.8 4.62 -9.35 -0.26 0
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293722 117397617 1 ClNO3C12H16 ABC3D12E16 -147.09 4.54 -9.31 -0.26 0
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293723 117397634 1 ClNO3C12H16 ABC3D12E16 -129.05 5.44 -9.55 -0.48 0
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293724 117397669 1 ClNO3C12H16 ABC3D12E16 -104.36 1.74 -8.93 -0.74 0