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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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140713 52745232 1 N2O5C23H30 A2B5C23D30 -183.82 1.16 -7.85 -0.41 0
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140714 52746164 1 ClOSN2H19C20 ABCD2E19F20 28.19 7.01 -8.53 -0.33 0
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140715 52746165 1 ClN2O2S2H21C22 AB2C2D2E21F22 -30.63 3.13 -9.08 -0.43 0
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140716 52746166 1 ClN2O2S2H21C22 AB2C2D2E21F22 -27.28 5.24 -8.81 -0.57 0
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140717 52746297 1 NO3C23H29 AB3C23D29 -106.53 3.39 -8.67 0.05 0
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140718 52746298 1 NO3C23H29 AB3C23D29 -103.75 4.51 -8.76 0.06 0
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140719 52746415 1 NO4C23H31 AB4C23D31 -160.86 5.33 -8.92 0.11 0
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140720 52746497 1 N2F3O4C20H21 A2B3C4D20E21 -297.6 1.96 -9.64 -0.56 0
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140721 52746653 1 N2O3C20H26 A2B3C20D26 -90.95 4.45 -8.59 0.16 0
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140722 52747042 1 S2O3N4C23H24 A2B3C4D23E24 -36.1 7.88 -8.63 -0.6 0
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140723 52747056 1 O2S2N5C21H29 A2B2C5D21E29 -44.78 6.38 -8.53 -0.46 0
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140724 52747404 1 N3O4C18H23 A3B4C18D23 -92.55 0.95 -9.2 -0.72 0
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140725 52747492 1 N2O5C19H30 A2B5C19D30 -213.76 6.87 -8.39 -0.04 0
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140726 52747667 1 ClN2O3C20H27 AB2C3D20E27 -135.53 3.81 -8.82 0.12 1
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140727 52747676 1 ClN2O3C21H26 AB2C3D21E26 -72.02 3.76 0.0 0.0 1
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140728 52747684 1 ClN2O4C22H28 AB2C4D22E28 -107.92 7.46 0.0 0.0 0
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140729 52748371 1 FN2O2C22H25 AB2C2D22E25 -74.94 2.28 -7.88 -0.16 1
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140730 52748390 1 N3O4C23H30 A3B4C23D30 -38.21 10.06 0.0 0.0 0
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140731 52748534 1 FOSN4C19H25 ABCD4E19F25 -48.52 3.36 -8.55 -0.24 1
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140732 52748535 1 SO2N3C19H26 AB2C3D19E26 -10.99 5.91 0.0 0.0 1
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140733 52748536 1 OSN4C15H27 ABC4D15E27 -16.01 3.15 0.0 0.0 0
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140734 52748723 1 SN3O4C20H23 AB3C4D20E23 -103.53 7.7 -8.96 -0.52 0
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140735 52748929 1 ON2C19H30 AB2C19D30 -60.71 2.8 -8.78 0.35 0
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140736 52749031 1 SO2N3C22H33 AB2C3D22E33 -75.23 2.14 -8.87 -0.36 1
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140737 52749032 1 SO2N3C22H34 AB2C3D22E34 -68.68 8.39 0.0 0.0 1
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140738 52749471 1 SO3N4C23H31 AB3C4D23E31 -70.51 9.66 0.0 0.0 0
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140739 52750218 1 BrFN2O3C19H22 ABC2D3E19F22 -125.36 2.5 -9.12 -0.6 0
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140740 52750535 1 ClN2O4C19H21 AB2C4D19E21 -150.61 8.28 -8.72 -0.94 0
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140741 52750681 1 FCl2O2N3H18C20 AB2C2D3E18F20 -72.33 5.7 -9.18 -0.98 0
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140742 52750682 1 FCl2O2N3H18C20 AB2C2D3E18F20 -72.39 6.24 -9.1 -0.96 0
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140743 52750877 2 NO3H12C13 AB3C12D13 -152.2 4.72 -8.98 -1.21 0
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140744 52750878 1 N3O5C16H19 A3B5C16D19 -146.08 2.98 -8.95 -0.49 0
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140745 52750919 1 N2O5H24C25 A2B5C24D25 -140.0 3.58 -8.46 -0.79 0
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140746 52752411 1 FO3N5H20C25 AB3C5D20E25 -88.97 4.78 -8.66 -1.01 0
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140747 52752412 1 FON5H22C26 ABC5D22E26 30.29 4.15 -8.39 -0.66 0
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140748 52752413 1 FSN4O4H19C22 ABC4D4E19F22 -113.99 6.73 -8.51 -1.0 0
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140749 52752414 1 FON4H15C20 ABC4D15E20 15.15 1.7 -8.68 -0.8 0
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140750 52752415 1 O2N4H26C27 A2B4C26D27 9.95 3.53 -9.26 -0.73 0
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140751 52752416 1 SO2N5H21C26 AB2C5D21E26 58.97 2.69 -9.28 -0.95 -1
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140752 52752541 1 SN4O4C24H29 AB4C4D24E29 -96.57 8.75 0.0 0.0 0
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140753 52752654 2 N2O3C12H16 A2B3C12D16 -188.91 5.4 -8.05 -0.77 0
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140754 52753412 1 SO2N5H21C22 AB2C5D21E22 78.93 5.66 -9.49 -1.53 0
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140755 52753846 1 ClSN3O3H16C18 ABC3D3E16F18 -59.84 10.27 -8.7 -1.29 1
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140756 52754167 1 N3O3C25H30 A3B3C25D30 -34.33 4.69 0.0 0.0 0
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140757 52754446 1 ClSO3N4H19C23 ABC3D4E19F23 6.33 6.07 -9.24 -1.2 0
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140758 52754453 1 SO3N6C20H26 AB3C6D20E26 -49.51 9.67 -8.99 -0.97 0
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140759 52754512 1 N3O5C26H35 A3B5C26D35 -187.78 7.34 -9.38 -0.47 0
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140760 52755204 1 N2O2F3C19H21 A2B2C3D19E21 -209.24 2.68 -9.14 -0.1 0
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140761 52755205 1 ClN2O2F3C18H18 AB2C2D3E18F18 -212.95 0.94 -9.37 -0.43 0
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140762 52755378 1 SO2N3C27H27 AB2C3D27E27 17.3 3.66 -8.92 -0.86 0