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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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174588 75789142 1 OSN7C18H29 ABC7D18E29 15.06 12.44 -8.68 -0.3 0
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174589 75789826 1 OSN5C10H17 ABC5D10E17 -6.93 9.97 -8.97 -0.29 0
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174590 75790211 1 OSN4C11H18 ABC4D11E18 -5.88 6.72 -9.04 -0.44 0
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174591 75790244 1 OSN5C16H25 ABC5D16E25 13.91 9.57 -8.95 -0.3 0
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174592 75791032 1 SO2N4C12H20 AB2C4D12E20 -55.95 7.33 -9.43 -0.82 0
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174593 75791075 1 SO2N3C11H19 AB2C3D11E19 -60.29 1.69 -9.1 -0.51 0
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174594 75791126 1 SN3O3C12H19 AB3C3D12E19 -73.79 2.59 -8.99 -0.6 0
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174595 75791181 1 SN3O3C10H15 AB3C3D10E15 -82.24 1.87 -9.64 -1.1 0
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174596 75791514 1 OSN7C18H29 ABC7D18E29 16.23 5.37 -8.97 -0.51 0
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174597 75791553 1 ClSN5C14H20 ABC5D14E20 74.81 3.06 -8.94 -0.69 0
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174598 75791674 1 OSN2C11H20 ABC2D11E20 -67.98 5.09 -8.94 0.36 1
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174599 75791791 1 N2O2C8H19 A2B2C8D19 -74.55 2.76 0.0 0.0 1
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174600 75791796 1 NO3C11H18 AB3C11D18 -91.68 2.73 0.0 0.0 1
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174601 75791797 1 NO3C11H18 AB3C11D18 -87.67 2.73 0.0 0.0 0
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174602 75791798 1 NO3C11H17 AB3C11D17 -105.72 1.69 -9.2 0.41 1
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174603 75792189 1 N2O3C23H33 A2B3C23D33 -130.89 5.14 0.0 0.0 0
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174604 75792190 1 N2O3C23H32 A2B3C23D32 -109.76 15.59 -7.83 -1.35 1
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174605 75792191 1 ClN2O3C16H26 AB2C3D16E26 -105.17 5.21 0.0 0.0 0
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174606 75792192 1 ClN2O3C16H25 AB2C3D16E25 -130.81 3.88 -8.36 -0.54 0
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174607 75792193 1 OSN3C17H25 ABC3D17E25 -50.83 4.23 -8.16 -0.44 0
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174608 75792194 1 OSN3C23H27 ABC3D23E27 -18.77 4.62 -8.14 -0.42 0
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174609 75792195 1 SO2N3C18H25 AB2C3D18E25 -78.47 4.12 -8.25 -0.54 -1
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174610 75792326 1 NO6H18C20 AB6C18D20 -113.71 4.75 0.0 0.0 0
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174611 75792327 1 NO6H19C20 AB6C19D20 -137.71 4.5 -8.58 -1.33 0
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174612 75792489 1 N2O5C21H22 A2B5C21D22 -96.02 1.72 -9.09 -1.12 0
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174613 75793047 1 N3O5C20H25 A3B5C20D25 -98.9 5.84 -9.43 -1.61 0
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174614 75793378 1 N2O5C25H28 A2B5C25D28 -109.88 5.27 -8.87 -1.21 0
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174615 75793379 1 N2O5C25H30 A2B5C25D30 -129.57 18.68 -8.1 -0.25 0
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174616 75793380 1 N2O5C25H30 A2B5C25D30 -138.28 8.61 -8.82 -1.22 0
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174617 75793381 1 N2O5C23H26 A2B5C23D26 -116.94 18.09 -8.16 -0.25 0
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174618 75793640 1 SN2O3C22H24 AB2C3D22E24 -44.23 18.7 -8.03 -0.31 0
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174619 75794233 1 FNO6H20C21 ABC6D20E21 -207.21 8.88 -9.48 -0.95 0
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174620 75794419 1 FN2O5H13C18 AB2C5D13E18 -99.52 4.83 -10.06 -1.72 0
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174621 75794652 1 O3N4C28H38 A3B4C28D38 -70.55 19.14 -7.88 -0.06 0
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174622 75795847 1 N3O3C25H25 A3B3C25D25 -52.87 7.72 -8.37 -0.53 0
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174623 75796027 1 N2O3C18H24 A2B3C18D24 -122.94 5.66 -8.83 -0.46 0
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174624 75796032 1 N2O5C18H22 A2B5C18D22 -201.35 5.09 -8.95 -0.56 0
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174625 75796364 1 ClSO3N4H13C15 ABC3D4E13F15 -24.18 6.72 -9.36 -1.2 0
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174626 75796548 1 ClN2O3H17C18 AB2C3D17E18 -88.8 3.19 -8.8 -1.0 0
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174627 75796905 1 SN2O4C13H14 AB2C4D13E14 -157.03 7.54 -9.27 -1.13 1
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174628 75796906 1 SN3O3C16H20 AB3C3D16E20 -68.46 13.67 0.0 0.0 0
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174629 75797498 1 BrOSN5C21H22 ABCD5E21F22 56.98 8.69 -9.15 -0.97 0
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174630 75797679 1 SN3O3C18H27 AB3C3D18E27 -101.64 4.92 -9.0 0.26 2
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174631 75798492 1 O2N5C13H25 A2B5C13D25 -23.11 19.07 -6.13 -0.84 1
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174632 75798493 1 O2N5C13H24 A2B5C13D24 -60.18 1.29 0.0 0.0 1
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174633 75798597 1 O2N6C19H23 A2B6C19D23 23.97 3.21 0.0 0.0 1
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174634 75799361 1 O3N4C17H19 A3B4C17D19 -7.28 4.14 0.0 0.0 1
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174635 75799362 1 O3N4C12H17 A3B4C12D17 -31.61 2.82 0.0 0.0 1
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174636 75799363 1 O2N4C15H23 A2B4C15D23 -24.25 2.15 0.0 0.0 2
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174637 75799364 1 O2N5C14H23 A2B5C14D23 -22.05 3.95 -8.56 -0.42 0