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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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223752 85335525 1 O4N5C30H37 A4B5C30D37 -68.84 4.99 -8.51 -1.38 0
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223753 85335527 1 Cl2O3N4H24C28 A2B3C4D24E28 -21.59 4.54 -8.71 -1.1 0
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223754 85335528 1 Cl2O3N4H24C28 A2B3C4D24E28 -8.81 1.76 -8.4 -0.9 0
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223755 85335529 1 Cl2O3N4H24C28 A2B3C4D24E28 -12.13 3.93 -8.28 -1.05 0
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223756 85335530 1 FSN3O6C26H34 ABC3D6E26F34 -265.11 3.82 -9.06 -0.57 0
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223758 85335533 1 OCl2N6C28H30 AB2C6D28E30 53.05 4.56 -8.17 -1.17 0
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223759 85335535 3 NO2C10H13 AB2C10D13 -248.51 2.88 -8.96 -0.39 0
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223760 85335536 1 O4N10C25H34 A4B10C25D34 -93.1 7.54 -8.74 -1.0 0
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223761 85335537 1 OSF3N5C28H28 ABC3D5E28F28 -93.72 1.99 -8.66 -0.85 0
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223762 85335538 1 ClFSN3O5C25H31 ABCD3E5F25G31 -230.74 1.46 -9.1 -0.83 0
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223763 85335539 1 ClFSN3O5C25H31 ABCD3E5F25G31 -230.58 3.9 -9.16 -0.84 0
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223764 85335540 1 FSN4O5C27H29 ABC4D5E27F29 -180.96 3.49 -8.41 -0.81 1
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223765 85335542 1 O4N5C31H34 A4B5C31D34 -44.53 6.13 0.0 0.0 0
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223766 85335543 1 O4N5C31H33 A4B5C31D33 -12.27 5.81 -9.28 -1.88 0
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223767 85335544 1 FSN4O6C26H27 ABC4D6E26F27 -193.54 5.7 -8.82 -0.68 0
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223768 85335546 1 OF4N4C30H34 AB4C4D30E34 -179.52 7.5 -8.96 -0.88 0
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223769 85335547 2 N3O4C12H21 A3B4C12D21 -400.03 3.15 -9.87 0.06 0
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223770 85335549 1 N6O9C23H40 A6B9C23D40 -466.17 8.42 -9.76 -0.12 0
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223772 85335551 1 F2S2N3O6C23H29 A2B2C3D6E23F29 -259.97 2.85 -8.86 -1.15 0
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223773 85335552 1 SCl2N3O6C23H29 AB2C3D6E23F29 -238.7 1.55 -9.32 -0.64 0
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223774 85335554 2 N2O2C16H21 A2B2C16D21 -151.03 4.86 -9.36 -0.21 0
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223775 85335555 1 FSN6O6C24H29 ABC6D6E24F29 -148.71 2.06 -9.43 -1.16 0
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223776 85335556 1 ClSN4O4C27H37 ABC4D4E27F37 -165.6 1.49 -8.63 -1.24 0
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223777 85335557 1 Cl2O3N4H26C29 A2B3C4D26E29 -38.03 3.57 -8.55 -1.07 0
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223778 85335558 1 NO3F8H23C26 AB3C8D23E26 -453.32 6.28 -9.14 -0.82 1