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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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309126 126538004 1 NC30H39 AB30C39 26.23 5.07 -7.38 -0.2 0
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309127 126538010 1 N2O5C28H38 A2B5C28D38 -195.87 10.64 -8.67 -0.8 0
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309128 126538022 1 F3O4C15H19 A3B4C15D19 -333.47 2.88 -10.69 -0.24 0
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309129 126538029 1 ClNC20H28 ABC20D28 -20.86 2.95 -9.19 -0.44 0
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309130 126538084 1 NO4C7H9 AB4C7D9 -164.59 4.94 -10.99 -0.97 0
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309131 126538151 1 NO6C26H33 AB6C26D33 -247.48 10.82 -8.97 -1.19 0
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309133 126538211 1 N2O5C27H34 A2B5C27D34 -189.43 13.29 -8.91 -1.14 0
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309134 126538244 1 SO3H18C23 AB3C18D23 -11.0 4.07 -8.29 -0.56 0
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309135 126538260 1 SN2H26C36 AB2C26D36 156.96 3.82 -7.67 -0.82 0
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309136 126538261 1 NSH17C25 ABC17D25 102.9 3.25 -7.97 -0.77 0
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309137 126538280 1 SN5O5C25H25 AB5C5D25E25 -128.66 5.08 -8.9 -0.76 0
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309138 126538381 2 NC15H21 AB15C21 6.34 3.41 -7.5 -0.28 0
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309139 126538398 1 FO4N5H26C27 AB4C5D26E27 -135.52 4.79 -8.71 -0.78 0
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309140 126538424 1 NH33C46 AB33C46 181.21 1.54 -8.02 -0.47 0
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309143 126538538 1 NH35C56 AB35C56 250.22 0.7 -7.94 -0.52 0
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309144 126538583 1 NO3C18H23 AB3C18D23 -113.2 4.74 -8.67 0.02 0
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309145 126538677 1 O3C23H34 A3B23C34 -155.82 3.84 -9.44 0.17 0
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309146 126538689 1 ON2C13H24 AB2C13D24 -55.66 3.22 -9.28 0.15 0
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309148 126538739 1 N2O3C55H56 A2B3C55D56 13.07 7.11 -7.65 -0.48 0
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309149 126538814 1 NO6C24H33 AB6C24D33 -221.94 6.12 -8.33 -0.24 0
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309150 126538832 1 NH35C56 AB35C56 257.88 1.12 -7.95 -0.56 0
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309151 126538904 1 OPC4H9 ABC4D9 -61.8 1.03 -8.93 2.13 0
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309153 126538954 1 O2C19H24 A2B19C24 -28.04 3.25 -8.06 0.39 0
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309155 126539035 1 O5C16H26 A5B16C26 -239.05 2.94 -10.36 0.08 0
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309156 126539065 4 OC4H7 AB4C7 -159.18 4.02 -9.03 1.6 0
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309157 126539073 1 O5N6C22H24 A5B6C22D24 -39.71 6.15 -9.33 -0.92 0
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309158 126539146 1 O5C17H30 A5B17C30 -223.48 1.52 -9.63 0.32 0
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309159 126539181 1 O3N6C11H18 A3B6C11D18 -66.83 3.34 -9.26 0.38 0
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309160 126539215 1 FO2N4C20H31 AB2C4D20E31 -119.11 3.61 -8.62 -0.55 0
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309161 126539226 2 O2C8H13 A2B8C13 -162.72 1.66 -9.01 0.24 0
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309162 126539236 1 BrNO4H8C9 ABC4D8E9 -72.0 1.23 -10.5 -1.48 1
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309163 126539247 1 SN4H53C57 AB4C53D57 199.61 4.57 0.0 0.0 0
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309164 126539254 1 C10O11H18 A10B11C18 -491.73 2.96 -10.52 0.06 2
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309166 126539296 1 ClN6O6C69H97 AB6C6D69E97 -287.16 8.29 -8.98 -0.68 0
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309167 126539354 2 F2C12H13 A2B12C13 -183.59 5.5 -9.57 -0.56 0
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309168 126539363 1 FN4C17H29 AB4C17D29 -40.01 1.42 -8.33 0.07 0
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309169 126539410 1 NF4H21C27 AB4C21D27 -106.44 3.72 -9.24 -0.96 0
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309170 126539446 1 N3O8C25H43 A3B8C25D43 -307.28 5.03 -9.25 0.54 0
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309171 126539450 1 N6O11C42H66 A6B11C42D66 -394.87 7.58 -8.82 -0.97 1
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309172 126539461 1 SN4H55C58 AB4C55D58 214.11 3.96 0.0 0.0 0
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309173 126539475 1 ON3C25H33 AB3C25D33 18.95 3.96 -8.29 0.2 0
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309174 126539495 1 INCl2O3H10C16 ABC2D3E10F16 -39.67 3.53 -9.51 -1.49 0
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309175 126539509 1 SN2O3C16H16 AB2C3D16E16 13.61 7.95 -9.21 -1.11 0
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309176 126539560 1 NF2C21H25 AB2C21D25 -78.12 1.92 -9.24 -0.37 0
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309177 126539572 1 NSC18H33 ABC18D33 -2.54 2.94 -8.46 0.89 0
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309178 126539577 1 SN4H32C39 AB4C32D39 210.26 5.02 -8.26 -1.22 0
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309179 126539592 1 ON2H28C29 AB2C28D29 32.89 5.53 -8.4 -0.25 0
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309180 126539617 2 NC9H18 AB9C18 -60.45 1.13 -8.6 3.14 0
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309181 126539618 1 N3C16H31 A3B16C31 -17.73 2.62 -8.88 1.06 0
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309182 126539620 1 SO2N5H45C50 AB2C5D45E50 184.11 10.05 -7.96 -1.44 0
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309183 126539659 2 O3C14H19 A3B14C19 -192.76 10.86 -9.09 -0.98 0
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309184 126539664 2 NC4H9 AB4C9 -10.49 3.09 -8.28 1.08 0
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309185 126539731 1 NOC8H15 ABC8D15 -38.27 3.68 -8.67 0.74 0
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309186 126539738 1 ON3C17H35 AB3C17D35 -83.48 2.81 -8.26 2.33 0
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309187 126539747 1 O2N3C24H33 A2B3C24D33 -36.89 1.92 -8.18 0.26 0
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309188 126539761 1 ON3C28H33 AB3C28D33 56.75 2.0 -8.07 0.1 0
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309189 126539811 1 NSO2C10H11 ABC2D10E11 -42.87 2.18 -8.66 -0.87 1
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309190 126539845 1 SO2N5H36C45 AB2C5D36E45 223.57 5.86 0.0 0.0 0
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309191 126539853 1 SN4F5H33C46 AB4C5D33E46 6.0 6.88 -8.3 -1.2 0
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309192 126539874 1 ON3C11H17 AB3C11D17 -14.6 3.91 -8.78 -0.12 0
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309193 126539919 1 FSO3N5C20H28 ABC3D5E20F28 -109.04 1.26 -8.49 -0.84 0
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309194 126539938 1 O6N7C41H63 A6B7C41D63 -196.91 6.57 -8.04 -0.78 0
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309195 126539942 1 O6N7C42H65 A6B7C42D65 -201.51 11.98 -7.65 -1.24 0
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309196 126540003 1 N3C30H59 A3B30C59 -88.37 3.34 -8.32 2.84 0
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309197 126540004 1 NF3C10H18 AB3C10D18 -192.6 4.75 -9.27 1.69 0
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309198 126540028 1 O3N5C20H25 A3B5C20D25 -53.9 4.64 -9.19 -0.46 0
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309199 126540036 2 O2N3C14H19 A2B3C14D19 -121.02 6.69 -9.14 -0.41 0
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309200 126540082 1 FO4N6C25H31 AB4C6D25E31 -150.38 4.91 -9.03 -0.59 0
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309201 126540088 1 O3N6C28H36 A3B6C28D36 -56.45 4.03 -9.13 -0.4 0
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309202 126540138 1 FS2O4N7C21H22 AB2C4D7E21F22 -104.2 13.47 -9.04 -1.36 1
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309203 126540188 1 FO5N6C25H32 AB5C6D25E32 -206.52 2.14 0.0 0.0 0
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309204 126540211 1 NO7C18H29 AB7C18D29 -311.87 6.55 -9.77 0.23 0
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309206 126540289 1 FON5C20H24 ABC5D20E24 13.27 5.52 -8.23 -0.72 0
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309207 126540298 1 ClO2N4C19H23 AB2C4D19E23 -56.18 4.54 -9.15 -0.54 0
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309208 126540302 2 O2N3C14H20 A2B3C14D20 -154.57 8.24 -9.1 -0.4 0