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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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176094 75995308 1 F3N5O9C42H46 A3B5C9D42E46 -417.27 4.24 -8.83 -0.51 0
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176095 75995653 1 OF2N8C22H24 AB2C8D22E24 0.09 2.45 -8.75 -0.92 0
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176096 75995654 1 ON6C27H28 AB6C27D28 84.02 11.35 -8.43 -0.86 0
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176097 75995704 1 SO2N7C20H23 AB2C7D20E23 42.88 2.82 -8.56 -0.83 -1
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176099 75996090 1 ON3C13H13 AB3C13D13 42.62 8.41 -8.93 -1.06 0
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176100 75996091 1 O2N4H8C11 A2B4C8D11 23.09 4.57 -10.33 -1.85 0
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176101 75996092 1 ON4H8C12 AB4C8D12 98.55 5.54 -8.92 -2.29 0
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176102 75997069 1 BrClNO3C21H23 ABCD3E21F23 -83.12 5.55 -8.56 -0.86 0
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176103 75997211 1 BrNO3C26H26 ABC3D26E26 -51.03 1.98 -8.51 -0.78 0
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176104 75997492 1 SN2O3H26C27 AB2C3D26E27 -31.14 6.08 -8.75 -0.42 0
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176105 75997726 1 FSN2O2H15C18 ABC2D2E15F18 -39.51 7.91 -8.98 -0.99 0
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176106 75997910 1 ClO2N3C7H10 AB2C3D7E10 -14.86 7.99 -9.13 -1.19 0
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176107 75998185 1 PO2N3H22C24 AB2C3D22E24 66.62 5.82 -8.69 -0.75 0
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176108 75998186 2 N2O2C6H9 A2B2C6D9 -47.33 4.95 -9.14 -1.07 0
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176109 75998187 1 N3O3C12H17 A3B3C12D17 -42.51 7.72 -9.34 -1.25 0
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176110 75998188 1 N3O3C11H15 A3B3C11D15 -40.34 7.34 -9.34 -1.22 0
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176111 75998189 1 N3O3H11C12 A3B3C11D12 6.76 6.86 -9.35 -1.35 0
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176112 75998395 2 NO2C7H8 AB2C7D8 20.16 8.33 -10.25 -1.8 1
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176113 75998481 1 SO4N5H18C25 AB4C5D18E25 54.44 2.16 0.0 0.0 1
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176114 75998482 1 SO4N5H18C25 AB4C5D18E25 55.19 2.77 0.0 0.0 1
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176115 75998483 1 SN4O7H25C29 AB4C7D25E29 -70.4 3.12 0.0 0.0 0
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176116 75998562 1 ClN4O4H19C21 AB4C4D19E21 -30.51 5.52 -9.46 -1.17 0
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176117 75998577 2 N2O2C9H10 A2B2C9D10 -53.47 4.53 -9.49 -1.17 0
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176118 75998578 1 N4O4C19H22 A4B4C19D22 -59.63 8.64 -9.84 -1.56 0
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176119 75998902 1 SO2N5C12H15 AB2C5D12E15 31.47 9.18 -8.79 -0.84 0
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176120 75999084 1 SO3N8H14C17 AB3C8D14E17 129.3 9.71 -9.05 -1.25 0
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176121 75999180 1 SO3N5H21C23 AB3C5D21E23 59.19 8.45 -8.65 -1.08 0
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176122 75999271 1 SO3N5H19C21 AB3C5D19E21 32.29 6.42 -8.76 -1.08 0
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176123 75999272 1 SO2N7H15C16 AB2C7D15E16 98.73 4.62 -8.73 -1.31 0
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176124 75999329 1 SO2N7H21C22 AB2C7D21E22 101.48 4.9 -8.92 -1.19 0
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176125 75999330 1 SF3O3N5H16C20 AB3C3D5E16F20 -106.7 1.88 -8.92 -1.52 0
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176126 75999460 1 SO3N8C24H24 AB3C8D24E24 97.68 7.26 -9.07 -1.27 0
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176127 75999461 1 SF3O4N6H19C22 AB3C4D6E19F22 -103.83 12.16 -9.14 -1.64 1
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176128 75999535 1 SO3N7C24H24 AB3C7D24E24 91.12 6.99 0.0 0.0 0
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176129 75999536 1 SO2N6C18H22 AB2C6D18E22 69.39 14.97 -8.74 -1.14 0
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176130 75999537 1 SO2N6C19H24 AB2C6D19E24 62.37 13.53 -8.76 -0.96 0
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176131 76000226 1 ON5C18H23 AB5C18D23 17.85 4.17 -8.52 -0.26 0
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176132 76000263 1 SO2N5C19H29 AB2C5D19E29 -36.13 3.26 -8.56 -0.61 0
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176133 76000264 1 SO2N5C21H31 AB2C5D21E31 -34.22 7.98 -8.62 -0.7 0
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176134 76000265 1 SO2N6C21H32 AB2C6D21E32 -29.05 4.64 -8.07 -0.7 0
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176135 76000431 1 SN2O2C18H22 AB2C2D18E22 -51.59 5.4 -9.05 -0.72 0
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176136 76000432 1 SN2O2C11H18 AB2C2D11E18 -106.24 5.59 -9.02 -0.68 0
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176137 76000433 1 SN2O2C12H20 AB2C2D12E20 -112.14 5.72 -9.01 -0.68 0
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176138 76000434 1 SN2O2C18H24 AB2C2D18E24 -83.47 5.58 -9.05 -0.73 0
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176139 76000435 1 SN2O2C19H26 AB2C2D19E26 -89.49 5.66 -9.05 -0.73 0
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176140 76000436 1 N2O3C11H18 A2B3C11D18 -161.72 4.74 -10.31 -0.01 0
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176141 76000437 1 FN2O2H17C20 AB2C2D17E20 -44.03 5.33 -9.07 -1.3 0
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176142 76000595 1 N2O7C26H32 A2B7C26D32 -162.38 3.95 -8.5 -0.68 0
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176143 76000596 1 N2O6C33H38 A2B6C33D38 -104.63 7.55 -8.41 -1.07 0
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176144 76000656 1 O2S2N4C25H30 A2B2C4D25E30 -30.3 8.11 -8.65 -0.17 0