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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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329007 126730358 1 N4H44C61 A4B44C61 251.57 3.04 -7.97 -0.83 0
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329008 126730364 2 N2H23C31 A2B23C31 242.49 1.56 -7.97 -0.78 0
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329009 126730385 2 N2H23C31 A2B23C31 242.89 3.7 -7.97 -0.82 0
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329010 126730453 2 N2H21C28 A2B21C28 220.71 3.03 -7.96 -0.83 0
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329011 126730460 2 N2H21C28 A2B21C28 221.27 2.03 -7.76 -0.9 0
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329012 126730464 2 N2H21C28 A2B21C28 218.21 4.0 -7.95 -0.75 0
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329013 126730485 2 N2H17C24 A2B17C24 213.67 4.16 -8.0 -0.88 0
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329014 126730486 2 N2H19C25 A2B19C25 196.33 4.45 -7.94 -0.81 0
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329015 126730487 1 N4H32C47 A4B32C47 225.86 1.17 -8.04 -1.14 0
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329016 126730492 1 N4H36C49 A4B36C49 207.81 2.75 -8.04 -0.88 0
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329017 126730511 2 N4H17C31 A4B17C31 412.68 7.64 -8.18 -1.63 0
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329018 126730517 1 N5H37C59 A5B37C59 313.81 4.25 -8.04 -1.22 0
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329019 126730518 6 NH6C10 AB6C10 349.93 3.5 -8.25 -1.55 0
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329020 126730519 1 N7H35C61 A7B35C61 377.98 4.66 -8.14 -1.62 0
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329021 126730532 2 N4H15C28 A4B15C28 391.2 7.39 -8.28 -1.72 0
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329022 126730546 4 NH11C15 AB11C15 259.67 1.56 -7.79 -0.85 0
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329023 126730576 1 N4H46C61 A4B46C61 251.79 0.56 -7.77 -0.8 0
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329024 126730594 2 N2H24C31 A2B24C31 240.88 2.11 -7.78 -0.8 0
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329025 126730601 1 N4H46C61 A4B46C61 247.99 1.87 -7.73 -0.72 0
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329026 126730628 1 N4H38C53 A4B38C53 246.32 2.63 -7.81 -0.88 0
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329027 126730643 4 NH11C14 AB11C14 219.84 2.27 -7.82 -0.72 0
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329028 126730645 1 N4H42C55 A4B42C55 229.21 1.84 -7.75 -0.79 0
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329029 126730648 1 Cl2N10C21H26 A2B10C21D26 116.33 3.14 -8.47 -0.6 0
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329030 126730649 1 N4H42C55 A4B42C55 228.21 1.55 -7.78 -0.74 0
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329031 126730656 1 N4H42C55 A4B42C55 227.21 2.1 -7.79 -0.82 0
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329032 126730657 4 NH11C14 AB11C14 220.38 1.9 -7.75 -0.68 0
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329033 126730692 2 N2H20C25 A2B20C25 197.09 0.95 -7.68 -0.77 0
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329034 126730712 2 N3H19C30 A3B19C30 347.09 3.29 -7.86 -1.48 0
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329035 126730717 1 N7H37C61 A7B37C61 376.23 8.19 -7.94 -1.57 0
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329036 126730728 1 N7H33C55 A7B33C55 354.33 7.74 -8.0 -1.62 0
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329037 126730735 1 N5H31C47 A5B31C47 266.2 2.99 -7.92 -1.29 0
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329038 126730749 1 NO2C17H25 AB2C17D25 -33.04 3.56 -9.28 0.6 0
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329039 126730750 1 N4O6C19H32 A4B6C19D32 -257.2 6.28 -9.27 0.46 0
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329040 126730751 1 O4F22H22C53 A4B22C22D53 -954.04 5.37 -9.4 -1.57 0
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329041 126730754 2 O2F11H14C30 A2B11C14D30 -942.02 4.9 -9.26 -1.59 0
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329042 126730756 1 Cl2O4H16F22C51 A2B4C16D22E51 -952.26 2.36 -9.49 -1.64 0
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329043 126730757 2 O2F11H21C38 A2B11C21D38 -857.07 2.68 -8.91 -1.67 0
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329044 126730760 1 O4F22H26C59 A4B22C26D59 -928.8 3.37 -9.02 -1.64 1
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329045 126730761 1 NOC18H24 ABC18D24 14.84 4.64 0.0 0.0 0
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329046 126730762 1 O4N12C17H28 A4B12C17D28 -97.27 2.93 -9.59 -0.25 0
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329047 126730768 1 S3O6N15C25H37 A3B6C15D25E37 -136.76 4.73 -9.25 -0.71 0
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329048 126730770 1 SN2O4C42H58 AB2C4D42E58 -93.96 3.85 -8.65 -0.12 0
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329049 126730773 2 O3C4H7 A3B4C7 -264.1 1.42 -10.29 0.12 1
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329050 126730776 1 PO7C32H38 AB7C32D38 -241.68 6.32 0.0 0.0 0
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329051 126730777 1 O4C13H26 A4B13C26 -230.18 3.77 -10.43 0.3 0
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329052 126730782 2 O2C8H15 A2B8C15 -234.85 3.35 -10.12 0.86 0
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329054 126730787 1 S2N3O3C19H23 A2B3C3D19E23 -76.12 3.33 -8.81 -1.0 0
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329056 126730807 1 BrNSO2C11H14 ABCD2E11F14 -64.76 3.83 -9.07 -0.41 0
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329057 126730839 1 N6O7C37H46 A6B7C37D46 -185.57 6.39 -8.91 -1.55 0
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329058 126730850 1 FN2P2C10O12H15 AB2C2D10E12F15 -702.21 9.17 -10.3 -0.87 0