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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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147096 53786749 1 ON2C15H20 AB2C15D20 -19.01 2.58 -7.57 0.1 0
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147097 53786750 1 O2N3C5H13 A2B3C5D13 -79.58 4.31 -9.49 0.5 0
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147098 53786751 1 O4C11H14 A4B11C14 -133.99 6.04 -10.82 -0.14 0
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147099 53786752 1 ClN3C11H16 AB3C11D16 30.76 6.33 -8.68 -0.29 0
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147100 53786753 1 BrN3O10H28C34 AB3C10D28E34 -326.77 5.99 -9.39 -0.96 0
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147101 53786754 2 O2H7C11 A2B7C11 -78.86 6.87 -9.18 -1.34 1
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147102 53786755 1 SN3O3C26H38 AB3C3D26E38 -135.15 3.84 0.0 0.0 0
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147103 53786756 1 NO3C6H11 AB3C6D11 -153.8 7.51 -10.77 0.31 0
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147104 53786757 1 PO3C13H19 AB3C13D19 -162.91 2.04 -9.46 0.19 0
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147105 53786758 1 OSN2C7H14 ABC2D7E14 -33.63 2.17 -8.45 -0.34 0
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147106 53786759 1 ON2C12H14 AB2C12D14 -2.73 3.98 -9.14 -0.35 0
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147107 53786760 1 N3O7C33H51 A3B7C33D51 -351.76 6.46 -9.56 0.16 0
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147108 53786761 1 NO2C25H29 AB2C25D29 -43.81 2.85 -8.45 -0.49 0
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147109 53786762 1 ON3C10H21 AB3C10D21 -61.98 4.03 -8.77 1.32 0
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147110 53786763 1 OC13H16 AB13C16 -15.03 3.75 -9.55 -0.55 0
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147111 53786764 1 O5C23H42 A5B23C42 -287.57 4.29 -9.54 0.47 0
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147112 53786765 1 ON3H31C40 AB3C31D40 139.52 3.7 -8.03 -0.5 0
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147113 53786766 1 O2N8C27H28 A2B8C27D28 76.27 3.28 -8.44 -0.66 0
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147114 53786767 1 N2S2O6C27H32 A2B2C6D27E32 -180.23 11.0 -9.28 -1.01 0
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147115 53786768 1 S2F3N4O4H29C35 A2B3C4D4E29F35 -183.5 9.86 -9.01 -1.35 0
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147116 53786769 1 NO3C16H27 AB3C16D27 -158.87 5.93 -9.25 0.6 0
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147117 53786770 1 N2O3C23H28 A2B3C23D28 -99.73 6.62 -8.95 -0.25 1
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147118 53786771 1 NOH14C15 ABC14D15 49.61 4.07 0.0 0.0 0
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147119 53786772 1 O7C23H32 A7B23C32 -202.36 7.19 -9.58 -0.19 0
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147120 53786773 2 NO2C7H12 AB2C7D12 -152.32 2.85 -9.31 -1.08 0