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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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179234 76454055 2 OH9C10 AB9C10 -11.71 1.16 -8.71 -0.15 0
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179235 76454184 1 NSO5C21H33 ABC5D21E33 -218.97 5.04 -9.02 -0.44 0
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179236 76454294 1 SN3O6C25H37 AB3C6D25E37 -244.48 6.36 -9.2 -0.54 0
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179237 76455031 1 N5O6C40H57 A5B6C40D57 -281.69 7.15 -8.48 -0.06 0
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179238 76455147 1 OF2N5H21C23 AB2C5D21E23 1.2 2.29 -8.67 -0.72 0
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179239 76455329 1 BrO2N3C25H34 AB2C3D25E34 -77.3 3.11 -8.02 0.15 0
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179240 76455420 1 N4O4C23H32 A4B4C23D32 -148.8 8.4 -9.5 -0.56 0
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179241 76455529 2 SiO3C20H33 AB3C20D33 -366.79 3.22 -8.76 -0.55 0
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179242 76455530 1 N3S3O6H15C16 A3B3C6D15E16 -118.39 7.36 -9.56 -1.57 0
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179243 76455531 1 NO3C25H29 AB3C25D29 -105.81 3.74 -8.88 -0.01 0
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179244 76455539 1 SiO4C30H45 AB4C30D45 -196.03 7.58 0.0 0.0 1
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179245 76455608 1 ClNSiO5C25H37 ABCD5E25F37 -220.26 5.84 0.0 0.0 0
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179246 76455609 1 FINO3H11C13 ABCD3E11F13 -114.12 1.43 -9.63 -1.82 0
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179247 76455616 2 NSO11C22H28 ABC11D22E28 -907.85 2.37 -8.82 -1.34 0
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179248 76455617 1 N2O5C17H20 A2B5C17D20 -122.57 3.92 -9.66 -1.45 0
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179249 76455618 1 ON2S2C19H22 AB2C2D19E22 30.59 7.33 -8.48 -0.29 0
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179250 76455657 1 SF3N4O7C29H33 AB3C4D7E29F33 -352.51 8.55 -9.35 -1.29 0
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179251 76455937 1 N2O5C18H26 A2B5C18D26 -190.02 8.6 -10.06 -0.27 0
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179252 76456160 1 ON10H16C17 AB10C16D17 164.87 3.97 -9.26 -1.14 0
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179253 76456346 1 SC5O8H10 AB5C8D10 -345.04 1.14 -10.81 -0.83 0
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179254 76456347 1 ClO5C22H35 AB5C22D35 -267.16 3.19 -9.14 0.38 0
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179255 76456348 1 O2N3C14H15 A2B3C14D15 -19.67 3.12 -8.94 -0.7 0
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179256 76456375 1 N2O5C41H48 A2B5C41D48 26.16 7.81 -8.67 -0.72 0
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179257 76456626 1 N4O8C17H20 A4B8C17D20 -242.33 3.02 -10.43 -1.97 0
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179258 76456651 1 BrN2O4C25H33 AB2C4D25E33 -166.63 5.12 -9.02 -1.03 0
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179259 76456652 1 N2F3O7C15H15 A2B3C7D15E15 -352.31 3.86 -10.8 -1.98 0
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179260 76456834 1 NO5C9H15 AB5C9D15 -200.01 5.69 -10.46 -0.81 0
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179261 76456905 1 BrO5C22H29 AB5C22D29 -229.08 11.29 -10.12 -0.43 0
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179262 76457964 1 O3C48H82 A3B48C82 -266.1 6.13 -9.16 0.81 0
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179263 76458463 4 NOC4H5 ABC4D5 -168.39 4.6 -9.88 -0.2 0
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179264 76458583 2 ON2C10H14 AB2C10D14 -84.68 4.76 -8.56 -0.05 0
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179265 76458590 1 N2O3C16H20 A2B3C16D20 -108.29 6.39 -9.48 0.05 0
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179266 76458709 1 O2N4C17H20 A2B4C17D20 -29.37 5.6 -9.6 -0.3 0
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179267 76459029 1 N2O3C17H20 A2B3C17D20 -85.56 3.25 -9.55 -1.06 1
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179268 76459078 1 SO2N6C15H19 AB2C6D15E19 18.88 5.3 0.0 0.0 0
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179269 76459079 2 ON2C8H10 AB2C8D10 -9.86 6.42 -9.12 -0.68 0
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179270 76459080 1 O2N3C17H25 A2B3C17D25 -54.71 3.8 -8.78 0.32 0
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179271 76459105 1 FN2O2H15C19 AB2C2D15E19 -39.53 4.16 -9.55 -1.66 0
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179272 76459509 1 ClN4O6C27H39 AB4C6D27E39 -241.68 8.74 -8.5 -1.8 0
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179273 76459510 1 N4O6C27H38 A4B6C27D38 -195.03 3.2 -8.63 -1.62 0
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179274 76459511 1 PN7O10C42H56 AB7C10D42E56 -430.42 2.94 -8.91 -0.34 0
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179275 76459512 1 PN7O10C44H48 AB7C10D44E48 -338.0 5.68 -8.81 -0.28 0
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179276 76459513 1 PN7O10C40H56 AB7C10D40E56 -434.68 2.73 -8.96 -0.4 0
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179277 76460500 1 BrO7C17H27 AB7C17D27 -337.46 2.93 -10.49 -0.75 0
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179278 76460936 1 O4N5H21C24 A4B5C21D24 -14.88 5.03 -8.86 -2.5 0
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179279 76460937 1 O3N5H23C25 A3B5C23D25 19.71 7.33 -9.07 -2.43 0
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179280 76461042 1 N5O5H19C21 A5B5C19D21 -62.87 2.39 -9.07 -0.62 0
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179281 76461165 2 O2N3C15H18 A2B3C15D18 -79.46 3.51 -8.68 -0.79 0
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179282 76461183 1 NSO4C31H31 ABC4D31E31 -91.77 8.98 -8.98 -0.91 0
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179283 76461351 1 O2N3C16H23 A2B3C16D23 34.52 5.14 -9.97 -0.17 0