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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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57017 22395225 1 SC3F3H3 AB3C3D3 -137.9 1.75 -9.38 -1.54 0
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57018 22395227 1 NOSC7H9 ABCD7E9 -15.17 2.65 -9.14 -0.06 0
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57019 22395228 1 ClS4N8O9C28H29 AB4C8D9E28F29 -170.16 10.75 -9.07 -1.26 0
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57020 22395229 1 OSN2C5H6 ABC2D5E6 -0.15 4.79 -9.07 -0.53 0
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57021 22395230 1 ClS2N5O7C24H24 AB2C5D7E24F24 -141.52 5.39 -9.14 -0.96 0
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57022 22395231 1 OSN2C7H10 ABC2D7E10 -8.85 3.76 -9.15 -0.11 0
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57023 22395232 1 N2S2O7C23H26 A2B2C7D23E26 -210.54 7.6 -8.95 -0.74 0
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57024 22395233 1 OSN5C8H9 ABC5D8E9 75.02 6.93 -9.6 -0.97 0
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57025 22395234 1 ClS3N5O9C27H30 AB3C5D9E27F30 -232.93 6.03 -8.81 -1.06 0
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57026 22395235 1 ClNOS2C8H12 ABCD2E8F12 -34.4 3.25 -9.25 -0.38 0
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57027 22395236 1 NSO2C5H9 ABC2D5E9 -71.1 2.41 -9.52 -0.1 0
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57028 22395237 1 SO2N3C5H5 AB2C3D5E5 15.64 3.43 -9.13 -0.9 0
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57029 22395238 1 NCl2O2H5C7 AB2C2D5E7 -48.51 5.56 -9.14 -0.86 0
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57030 22395239 1 SO4C8H8 AB4C8D8 -130.35 6.05 -10.1 -0.72 0
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57031 22395241 1 SO2N3C6H7 AB2C3D6E7 17.41 2.8 -9.0 -0.77 0
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57032 22395242 1 ClS2N5O7C24H24 AB2C5D7E24F24 -141.79 7.9 -8.92 -1.18 0
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57033 22395245 1 ClON4C20H33 ABC4D20E33 -24.15 4.5 -7.82 0.08 -2
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57034 22395246 1 I2C17H36 A2B17C36 -63.45 1.56 -10.07 0.39 0
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57035 22395248 1 BrC3N3H6 AB3C3D6 63.14 2.85 -10.14 -0.3 0
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57036 22395249 1 ON3C8H11 AB3C8D11 -18.52 9.66 -9.0 -0.15 0
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57037 22395251 2 NO2C4H6 AB2C4D6 -140.96 3.19 -9.62 0.1 0
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57038 22395254 1 N3C12H29 A3B12C29 -41.99 2.88 -9.01 2.9 0
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57039 22395255 1 O3C37H58 A3B37C58 -178.44 4.53 -9.09 -0.56 -1
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57040 22395256 1 O3C23H37 A3B23C37 -159.02 7.19 0.0 0.0 -1
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57041 22395257 1 O4C27H39 A4B27C39 -189.22 6.52 0.0 0.0 -1
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57042 22395258 1 O4C17H19 A4B17C19 -141.21 6.46 0.0 0.0 0
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57043 22395260 1 N3C8H19 A3B8C19 -9.04 2.48 -8.65 2.56 -1
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57044 22395261 1 O3C19H23 A3B19C23 -107.13 7.41 0.0 0.0 0
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57045 22395262 1 N5C11H29 A5B11C29 -16.37 0.55 -8.74 2.35 0
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57046 22395263 3 NC4H11 AB4C11 -55.88 4.14 -9.15 3.3 0
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57047 22395264 2 N2C5H13 A2B5C13 -19.53 3.31 -8.99 2.45 -1
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57048 22395265 1 O4C16H23 A4B16C23 -124.85 14.25 0.0 0.0 0
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57049 22395266 1 N6C13H34 A6B13C34 -12.67 6.86 -8.72 2.24 0
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57050 22395267 2 N3C7H18 A3B7C18 -8.88 5.27 -8.67 2.57 -1
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57051 22395269 1 O4C23H37 A4B23C37 -171.15 6.81 0.0 0.0 0
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57053 22395271 1 O4C19H23 A4B19C23 -150.8 6.36 0.0 0.0 -1
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57054 22395274 1 O4C20H25 A4B20C25 -155.8 6.53 0.0 0.0 -1
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57055 22395275 1 O3C17H19 A3B17C19 -97.01 7.45 0.0 0.0 0
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57056 22395278 5 NC2H5 AB2C5 -2.36 1.48 -8.87 2.14 -1
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57057 22395279 1 O4C19H29 A4B19C29 -141.58 14.42 0.0 0.0 -1
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57058 22395280 3 OC9H15 AB9C15 -181.32 6.54 0.0 0.0 0
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57059 22395281 2 N2C8H19 A2B8C19 -52.2 5.77 -8.66 3.18 0
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57060 22395282 1 N3C11H27 A3B11C27 -34.56 2.88 -9.01 2.81 -1
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57061 22395284 1 O3C20H25 A3B20C25 -111.8 7.01 0.0 0.0 0
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57062 22395285 1 N7C8H19 A7B8C19 48.49 3.5 -8.28 1.85 0
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57063 22395286 1 N2C11H12 A2B11C12 64.89 4.45 -8.38 -0.44 0
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57064 22395287 1 BrFNO2H11C15 ABCD2E11F15 -67.02 7.28 -9.22 -1.12 0
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57065 22395288 1 ON2H14C16 AB2C14D16 31.74 2.74 -8.27 -0.56 0
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57066 22395289 3 OC5H6 AB5C6 -126.12 8.4 -10.12 -1.09 0
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57067 22395293 1 N2S2O5C12H14 A2B2C5D12E14 -175.66 3.08 -8.68 -0.78 0