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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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41103 8145243 1 O3N4C22H34 A3B4C22D34 -122.33 0.87 -8.14 0.26 0
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41104 8145246 1 IN3H12C17 AB3C12D17 129.92 2.32 -8.94 -1.15 0
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41105 8145255 1 O3N4C22H32 A3B4C22D32 -119.18 2.43 -8.7 0.23 0
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41106 8145259 1 N3O3C24H29 A3B3C24D29 -61.82 3.71 -8.82 -1.23 0
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41107 8145262 1 NO2H15C25 AB2C15D25 111.53 6.95 -8.92 -1.9 0
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41108 8145265 1 N3O3C22H25 A3B3C22D25 -51.96 3.85 -8.82 -1.26 0
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41109 8145267 1 SO2N4H18C21 AB2C4D18E21 45.4 9.97 -8.79 -1.16 1
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41110 8145268 1 N4O5C21H23 A4B5C21D23 -47.53 14.72 0.0 0.0 0
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41111 8145273 1 SO2N4H18C21 AB2C4D18E21 46.09 10.09 -8.87 -1.07 1
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41112 8145274 1 SO2N5C20H24 AB2C5D20E24 61.63 10.51 0.0 0.0 0
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41113 8145275 1 SO2N5C20H23 AB2C5D20E23 41.75 3.33 -8.23 -1.21 0
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41114 8145276 1 N2O4C17H18 A2B4C17D18 -90.84 4.18 -9.25 -0.26 0
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41115 8145277 2 NO2H11C12 AB2C11D12 -82.35 3.52 -8.8 -0.55 0
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41116 8145279 1 SO2N3C23H23 AB2C3D23E23 1.45 5.44 -8.64 -0.84 0
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41117 8145281 1 N3O3C21H29 A3B3C21D29 -109.53 1.96 -8.01 0.21 1
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41118 8145282 3 NOC7H10 ABC7D10 -85.55 1.68 0.0 0.0 0
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41119 8145283 1 N3O3C21H29 A3B3C21D29 -110.72 1.95 -8.19 0.18 0
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41120 8145289 1 N2O4C17H18 A2B4C17D18 -94.26 6.64 -9.11 -0.26 1
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41121 8145290 1 N3O3C21H28 A3B3C21D28 -66.29 4.86 0.0 0.0 1
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41122 8145292 1 SO2N3C20H24 AB2C3D20E24 -16.59 8.61 0.0 0.0 0
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41123 8145294 2 NO2H11C12 AB2C11D12 -82.2 1.04 -8.93 -0.41 1
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41124 8145295 1 N3O3C21H28 A3B3C21D28 -63.42 3.3 0.0 0.0 0
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41125 8145297 1 N2O4C17H18 A2B4C17D18 -94.8 5.15 -9.18 -0.17 0
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41126 8145300 1 SN2O5C21H22 AB2C5D21E22 -156.97 6.0 -8.94 -1.6 1
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41127 8145303 1 OSN5C19H28 ABC5D19E28 70.95 4.78 0.0 0.0 0
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41128 8145307 1 OSN5C23H29 ABC5D23E29 52.86 2.9 -8.34 -0.24 0
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41129 8145308 1 ON2H16C21 AB2C16D21 54.01 4.1 -9.32 -0.67 0
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41130 8145315 1 O2S2N4C19H22 A2B2C4D19E22 34.54 2.94 -8.51 -1.24 0
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41131 8145322 1 SN4O4H14C15 AB4C4D14E15 -39.58 11.46 -9.13 -1.8 0
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41132 8145329 1 OSN5C22H27 ABC5D22E27 67.04 5.9 -8.36 -1.2 -1
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41133 8145330 1 NO3H14C20 AB3C14D20 12.39 19.29 0.0 0.0 1
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41134 8145333 1 N4O4C23H27 A4B4C23D27 -77.54 12.27 0.0 0.0 1
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41135 8145335 1 N4O4C18H25 A4B4C18D25 -114.82 11.11 0.0 0.0 1
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41136 8145337 1 SO2N5C22H28 AB2C5D22E28 32.72 3.67 0.0 0.0 0
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41137 8145338 1 SO2N5C22H27 AB2C5D22E27 34.83 6.83 -8.31 -1.16 1
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41138 8145341 1 N4O4C20H29 A4B4C20D29 -118.49 12.25 0.0 0.0 0
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41139 8145342 4 NOC5H7 ABC5D7 -135.11 5.28 -8.92 -1.05 1
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41140 8145345 1 SN3O4C20H24 AB3C4D20E24 -109.22 17.96 0.0 0.0 1
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41141 8145347 1 N4O4C17H23 A4B4C17D23 -105.13 12.81 0.0 0.0 0
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41142 8145348 1 N4O4C17H22 A4B4C17D22 -111.99 3.32 -8.17 -1.08 0
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41143 8145353 1 OSN5C23H29 ABC5D23E29 56.65 4.07 -8.29 -0.12 0
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41144 8145355 1 SN3O3C21H21 AB3C3D21E21 -33.94 6.18 -8.44 -0.89 1
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41145 8145356 1 N2O4C25H31 A2B4C25D31 -116.62 9.49 0.0 0.0 0
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41146 8145357 1 N2O4C25H30 A2B4C25D30 -126.75 4.07 -8.06 -0.73 0
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41147 8145358 1 O2N3H17C19 A2B3C17D19 30.8 4.24 -8.92 -0.96 1
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41148 8145359 1 N4O4C19H25 A4B4C19D25 -86.36 10.86 0.0 0.0 0
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41149 8145360 1 N4O4C19H24 A4B4C19D24 -105.0 1.76 -8.73 -1.27 0
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41150 8145362 1 SO2N4C22H26 AB2C4D22E26 17.12 4.82 -8.66 -0.81 1
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41151 8145366 1 N4O4C23H33 A4B4C23D33 -133.87 11.07 0.0 0.0 0
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41152 8145368 1 N4O5C21H24 A4B5C21D24 -140.19 7.28 -8.34 -0.27 0