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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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6174 67352 1 O2H18C27 A2B18C27 41.91 5.24 -8.79 -1.09 0
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6175 67354 2 NOC12H19 ABC12D19 -60.88 33.89 -6.42 -2.74 0
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6176 67357 3 OC6H6 AB6C6 -89.3 8.06 -10.0 -1.18 0
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6177 67358 1 N5O5C10H13 A5B5C10D13 -116.64 1.57 -8.99 -1.01 0
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6178 67359 1 N4O5H14C15 A4B5C14D15 -35.84 4.38 -9.2 -2.11 0
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6179 67364 1 N2C11H18 A2B11C18 4.73 2.49 -7.5 0.61 0
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6180 67367 1 N3C10H14 A3B10C14 66.89 6.39 0.0 0.0 1
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6181 67368 1 NNaSO4C21H42 ABCD4E21F42 -295.41 4.18 -9.3 0.5 0
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6182 67370 1 N2S2C17H36 A2B2C17D36 -34.65 7.37 -8.35 -0.17 0
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6183 67371 1 ClN3O5C24H32 AB3C5D24E32 -190.24 4.47 -9.1 -0.77 0
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6184 67379 1 ClO2C18H23 AB2C18D23 -115.26 2.15 -9.06 -0.14 0
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6185 67380 1 NO2C18H25 AB2C18D25 -97.87 1.6 -8.82 0.12 0
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6186 67382 1 FO2C18H23 AB2C18D23 -149.36 1.77 -9.06 0.0 0
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6187 67408 1 NaSO2N3H10C11 ABC2D3E10F11 -77.05 2.42 -7.74 0.1 0
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6188 67411 1 NNa2S2O6H7C10 AB2C2D6E7F10 -303.6 15.7 -8.58 -1.02 0
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6189 67414 1 NaN2O3C9H13 AB2C3D9E13 -192.44 8.25 -9.56 0.03 0
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6190 67416 1 SO2Cl3N3C23H30 AB2C3D3E23F30 -121.82 4.06 -7.9 -0.43 0
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6191 67424 1 N2O5C18H28 A2B5C18D28 -189.86 1.99 -8.72 -0.27 0
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6192 67425 3 NOC8H15 ABC8D15 -127.67 2.76 -8.31 0.22 0
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6193 67426 1 NO4C18H27 AB4C18D27 -141.02 5.74 -8.83 -0.13 0
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6194 67430 1 ClNC8H10 ABC8D10 7.22 2.3 -9.35 -0.07 0
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6196 67438 2 OC5H9 AB5C9 -117.15 2.3 -9.83 2.12 0
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6197 67440 2 OC6H7 AB6C7 -68.3 1.3 -8.59 0.16 0
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6198 67450 2 H6C11 A6B11 122.62 0.0 -8.68 -1.33 0
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6200 67452 1 SH12C20 AB12C20 90.71 1.03 -8.44 -1.07 0
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6201 67474 1 SH8C12 AB8C12 57.19 0.81 -8.66 -0.79 0
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6202 67475 1 OH8C12 AB8C12 23.44 0.38 -8.74 -0.46 0
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6203 67476 1 N2H8C11 A2B8C11 73.73 2.17 -8.76 -0.82 0
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6204 67481 7 H2C3 A2B3 80.04 0.75 -8.4 -0.76 0
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6205 67489 1 N3H5C7 A3B5C7 83.73 5.63 -10.37 -1.5 0
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6206 67503 1 SeN2H4C6 AB2C4D6 162.28 1.03 -7.99 -2.78 0
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6207 67511 2 OC2H3 AB2C3 -44.75 1.87 -9.98 1.46 0
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6208 67514 1 SiC3H8 AB3C8 -7.46 0.36 -9.76 0.43 0
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6209 67519 1 CH2N4 AB2C4 79.91 2.29 -11.45 -0.62 0
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6210 67525 15 CH2 AB2 -69.23 0.06 -10.36 4.13 0
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6211 67527 2 SO2C6H12 AB2C6D12 -179.37 1.19 -8.85 0.25 0
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6212 67528 2 ClN4H15C19 AB4C15D19 446.64 23.31 -6.5 -3.66 2
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6213 67531 1 SN4O4C26H26 AB4C4D26E26 -89.31 4.58 -9.0 -0.86 0
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6214 67532 1 NBr2O3C9H9 AB2C3D9E9 -106.46 3.81 -9.6 -1.03 0
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6215 67533 2 ClNC9H12 ABC9D12 -21.69 4.26 -8.85 -0.22 0
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6216 67535 1 NO2C11H11 AB2C11D11 -60.88 2.6 -10.25 -1.33 0
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6217 67538 1 NO3C16H23 AB3C16D23 -94.46 5.53 -8.43 0.14 0
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6218 67539 1 SN2O3H4C6 AB2C3D4E6 24.3 17.25 -9.75 -3.54 0
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6219 67542 1 HO2C6F11 AB2C6D11 -622.58 2.44 -12.14 -0.88 0
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6220 67545 1 HO2C12F23 AB2C12D23 -1205.91 2.44 -12.1 -0.95 0
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6221 67546 1 IC12F25 AB12C25 -1208.1 1.47 -10.99 -2.7 0
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6222 67547 1 IC14F29 AB14C29 -1399.38 0.98 -11.0 -2.72 0
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6223 67550 1 H2O2C11F20 A2B2C11D20 -1054.06 3.74 -12.13 -0.89 0
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6224 67554 1 NPCl2O6C10H12 ABC2D6E10F12 -242.48 4.48 -10.44 -1.53 0
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6225 67556 1 FSO2H9C12 ABC2D9E12 -74.05 5.6 -10.23 -0.74 0
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6226 67561 1 ClOF3H4C8 ABC3D4E8 -178.85 5.64 -10.88 -1.54 0
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6227 67562 1 F5H5C8 A5B5C8 -239.43 3.87 -10.58 -0.97 0
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6228 67563 1 OF4H4C8 AB4C4D8 -220.58 6.21 -10.98 -1.61 0
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6229 67564 2 F4C5 A4B5 -307.52 0.0 -10.01 -2.03 0
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6230 67565 1 NOSC19H19 ABCD19E19 30.76 4.7 -8.22 -0.36 0
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6231 67566 1 HNO2F4C6 ABC2D4E6 -153.06 3.55 -11.14 -1.89 0
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6232 67571 1 N2H10C15 A2B10C15 78.66 3.9 -8.5 -0.78 0
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6233 67573 3 ClFC2 ABC2 -136.73 0.0 -10.17 -1.42 0
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6234 67575 1 FCl2H5C7 AB2C5D7 -42.9 2.6 -10.18 -0.83 0
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6235 67578 1 ClOF3H4C8 ABC3D4E8 -171.16 2.71 -10.31 -1.56 0
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6236 67595 1 O2F3N3H4C8 A2B3C3D4E8 -108.24 2.52 -10.36 -2.08 0
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6237 67607 1 ClOF3H4C8 ABC3D4E8 -181.77 0.91 -10.96 -1.86 0
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6238 67610 1 FSO3H5C6 ABC3D5E6 -141.28 3.03 -9.74 -1.16 0
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6239 67618 1 FOPN2C14H16 ABCD2E14F16 -113.55 3.43 -9.54 -0.01 0
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6240 67622 1 ClFC8H8 ABC8D8 -45.33 0.33 -9.74 -0.25 0
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6241 67626 1 PN2O2S2C10H17 AB2C2D2E10F17 -160.74 5.35 -9.02 -0.81 0
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6242 67627 1 SN3C4H5 AB3C4D5 38.12 3.53 -9.12 -0.48 0
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6243 67628 1 FO2C7H13 AB2C7D13 -165.03 1.96 -10.81 0.73 0
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6244 67629 1 ClFC13H26 ABC13D26 -137.82 2.27 -10.75 1.96 0
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6245 67630 1 CNOF3 ABCD3 -129.63 1.12 -10.73 -2.26 0
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6246 67631 1 CSO2F4 ABC2D4 -277.24 1.16 -12.84 -1.63 0
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6247 67632 1 OC4F8 AB4C8 -431.23 0.97 -12.6 -1.4 0
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6248 67633 1 IC7F15 AB7C15 -723.38 1.31 -11.0 -2.71 0
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6249 67634 1 OC8F16 AB8C16 -820.15 0.67 -12.49 -1.33 0
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6250 67635 1 SO2C7F16 AB2C7D16 -858.67 1.21 -12.84 -1.66 0