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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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221310 85267593 1 N2O3C25H28 A2B3C25D28 -88.53 8.82 -9.37 -0.47 0
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221311 85267594 1 N4O4C21H24 A4B4C21D24 -75.35 3.8 -8.95 -0.67 0
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221312 85267596 1 O5C24H28 A5B24C28 -113.65 4.72 -9.21 -1.45 1
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221313 85267609 1 N5O5C19H20 A5B5C19D20 -123.0 5.95 0.0 0.0 0
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221314 85267617 1 SN3O5C18H27 AB3C5D18E27 -195.29 3.38 -9.25 -1.15 0
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221315 85267627 1 O7C22H22 A7B22C22 -241.85 8.45 -9.06 -1.2 0
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221316 85267631 1 SO9C16H30 AB9C16D30 -398.24 5.32 -9.49 0.12 0
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221317 85267640 2 SO2C10H15 AB2C10D15 -168.57 2.89 -8.65 0.29 0
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221318 85267641 1 SO2C25H34 AB2C25D34 -58.56 2.96 -8.32 0.02 0
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221319 85267642 1 SN2O3C21H38 AB2C3D21E38 -200.08 6.45 -9.21 -0.1 0
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221320 85267643 1 SiO3C24H34 AB3C24D34 -167.83 1.29 -9.02 0.08 0
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221321 85267648 1 N5O6H17C18 A5B6C17D18 -106.46 10.34 -9.31 -1.82 0
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221322 85267654 1 N3O4C22H29 A3B4C22D29 -135.53 4.46 -9.37 -0.16 0
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221323 85267663 1 NOSiC26H29 ABCD26E29 6.36 3.07 -9.24 -0.23 0
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221324 85267667 1 ClSO4N5C15H18 ABC4D5E15F18 -132.92 2.8 -9.19 -1.34 0
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221325 85267669 1 BrNO2C21H22 ABC2D21E22 -34.4 4.69 -9.44 -1.08 0
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221326 85267674 1 SN2O2H20C24 AB2C2D20E24 39.89 2.56 -8.63 -0.78 0
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221327 85267696 1 NOSH15C27 ABCD15E27 102.58 6.64 -8.74 -1.41 0
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221328 85267702 1 NO2C26H43 AB2C26D43 -150.78 3.09 -8.49 0.78 0
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221330 85267705 1 BrNO5C17H24 ABC5D17E24 -115.11 5.44 -9.58 -0.79 0
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221331 85267709 2 N2O2H10C11 A2B2C10D11 -48.38 5.14 -9.58 -1.42 0
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221332 85267710 1 O7C22H26 A7B22C26 -89.98 5.71 -9.61 0.14 0
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221333 85267712 1 N2O6C21H26 A2B6C21D26 -239.46 3.47 -9.68 -0.22 0
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221334 85267714 1 O4N6C19H26 A4B6C19D26 -137.46 4.66 -9.27 -0.73 0
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221335 85267715 1 PN2O3C22H31 AB2C3D22E31 -154.24 6.87 -8.97 -0.15 0
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221336 85267768 1 NO5C23H35 AB5C23D35 -256.77 6.12 -9.7 0.01 0
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221338 85267776 1 N2F3O5H13C19 A2B3C5D13E19 -184.81 5.92 -9.3 -1.7 1
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221339 85267781 1 NSO2C18H32 ABC2D18E32 -132.47 3.29 0.0 0.0 0
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221340 85267785 1 SO2N6H18C20 AB2C6D18E20 33.94 3.08 -9.12 -0.71 0
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221341 85267786 1 O9C19H34 A9B19C34 -434.09 2.42 -10.1 0.79 0
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221342 85267787 1 O7C22H30 A7B22C30 -298.44 2.8 -9.99 -0.77 0
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221343 85267789 1 O7C22H30 A7B22C30 -280.58 7.61 -9.89 -1.17 0
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221344 85267795 1 N2S2O4C19H22 A2B2C4D19E22 -83.3 3.11 -8.78 -1.13 0
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221345 85267797 1 SiO3C25H30 AB3C25D30 -124.86 2.15 -9.19 -0.01 0
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221346 85267798 1 SiN2O4C21H34 AB2C4D21E34 -163.74 3.34 -8.98 0.25 0
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221347 85267799 1 SiO4C23H38 AB4C23D38 -205.73 4.94 -8.61 0.17 0
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221348 85267800 1 SiO4C23H38 AB4C23D38 -225.96 6.68 -8.87 -0.07 0
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221349 85267801 1 SiO3C24H42 AB3C24D42 -225.71 3.82 -9.34 0.33 0
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221351 85267806 1 BrN2O4C18H19 AB2C4D18E19 -77.55 8.27 -8.4 -0.47 0
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221352 85267808 1 SN3O6C18H21 AB3C6D18E21 -91.54 5.64 -9.7 -1.9 0
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221353 85267809 1 NSF3O4C18H24 ABC3D4E18F24 -308.01 2.38 -8.92 -1.62 0
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221354 85267820 2 NO3H10C11 AB3C10D11 -168.72 7.38 -9.35 -0.99 0
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221355 85267822 1 O7C22H32 A7B22C32 -274.29 2.88 -9.46 0.25 0
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221356 85267831 1 SiO2C26H36 AB2C26D36 -102.7 3.4 -8.91 0.24 0
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221357 85267832 1 SiO2C26H36 AB2C26D36 -102.54 2.9 -8.94 0.18 0
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221358 85267834 1 ClO2H17C27 AB2C17D27 31.83 4.44 -8.86 -1.25 0
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221359 85267836 1 BrF3N4O4H8C12 AB3C4D4E8F12 -186.86 5.05 -9.29 -1.91 2
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221360 85267838 1 FeNO3C22H27 ABC3D22E27 -47.51 7.09 -9.08 -0.67 0
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221361 85267839 1 NO3C17H22 AB3C17D22 -75.86 4.37 0.0 0.0 1
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221362 85271402 1 PC68H108 AB68C108 -74.1 8.09 0.0 0.0 0