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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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313557 126615881 1 N3O3C29H33 A3B3C29D33 -100.12 2.9 -8.55 0.04 0
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313558 126615882 1 N2O7C49H58 A2B7C49D58 -262.12 7.41 -8.82 -0.39 0
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313559 126615885 1 PO2H19C21 AB2C19D21 -8.4 3.19 -8.98 -1.16 0
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313560 126615888 1 NaSN2C5O5H11 ABC2D5E5F11 -251.89 8.53 -9.35 0.07 0
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313561 126615892 1 O3N5C16H23 A3B5C16D23 -70.26 5.41 -9.68 -0.08 0
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313562 126615893 1 SO3N5C21H35 AB3C5D21E35 -64.96 2.45 -7.4 0.11 0
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313563 126615903 1 SO3N4C19H24 AB3C4D19E24 -81.49 2.67 -8.82 -0.78 0
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313564 126615904 1 O3F4N5H17C18 A3B4C5D17E18 -263.61 4.86 -9.53 -1.22 0
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313565 126615909 1 O3C11H20 A3B11C20 -161.2 2.2 -9.74 0.8 0
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313566 126615911 1 NOC8H15 ABC8D15 -22.8 3.94 -8.84 2.08 0
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313567 126615912 1 NO10C15H23 AB10C15D23 -423.45 2.06 -9.42 -0.69 0
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313568 126615918 1 FO3N4C21H25 AB3C4D21E25 -123.15 4.51 -8.67 -0.65 0
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313569 126615923 2 NO4C14H17 AB4C14D17 -277.87 6.64 -9.35 -1.2 0
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313570 126615947 1 N7O9C40H41 A7B9C40D41 -247.28 10.5 -8.66 -1.8 0
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313573 126615951 1 SN7O11H45C51 AB7C11D45E51 -240.78 15.41 -8.37 -1.91 2
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313574 126615957 1 F3N8O10C51H55 A3B8C10D51E55 -475.14 15.62 -9.13 -1.82 0
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313576 126615962 1 BrFSCl2O6N11C44H45 ABCD2E6F11G44H45 -138.04 4.76 -8.41 -0.93 0
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313577 126615965 1 N2O5C31H34 A2B5C31D34 -82.4 6.25 -9.23 -1.62 0
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313578 126615970 1 N9O10C49H63 A9B10C49D63 -301.77 11.48 -8.48 -1.15 0
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313579 126615975 1 N6O12C47H60 A6B12C47D60 -459.48 6.17 -8.99 -2.04 0
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313580 126615978 1 N5O12C49H51 A5B12C49D51 -334.96 9.56 -8.52 -1.25 0
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313581 126615979 1 N5O14C53H67 A5B14C53D67 -424.72 8.17 -8.77 -1.62 0
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313582 126615980 1 N7O12C49H69 A7B12C49D69 -425.44 10.75 -8.6 -1.69 0
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313583 126615981 1 N5O14C53H67 A5B14C53D67 -441.82 9.95 -8.5 -1.7 0
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313584 126615982 1 N7O12C49H69 A7B12C49D69 -413.22 13.71 -8.67 -1.24 0
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313587 126616006 1 Cl3O4N10C40H49 A3B4C10D40E49 -64.01 14.13 -7.78 -0.86 0
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313588 126616040 1 N7O9H41C45 A7B9C41D45 -189.42 12.23 -8.33 -1.68 0
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313589 126616052 1 ClO4N6C29H39 AB4C6D29E39 -148.88 5.45 -9.11 -0.88 0
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313590 126616088 1 ClF3N4O4C23H24 AB3C4D4E23F24 -271.14 5.75 -8.98 -0.96 0
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313591 126616096 1 BrNO4C24H30 ABC4D24E30 -162.75 2.75 -8.46 -0.29 0
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313592 126616138 1 Cl2N2O3H28C33 A2B2C3D28E33 -7.87 7.15 -8.88 -0.59 0
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313593 126616139 1 ClOSN3H26C30 ABCD3E26F30 83.89 2.66 -8.89 -0.56 0
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313594 126616152 1 SCl2O3N4H32C35 AB2C3D4E32F35 -8.46 5.26 -8.93 -1.11 0
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313595 126616157 1 ClSF3N3O3H27C32 ABC3D3E3F27G32 -156.85 4.86 -9.07 -0.95 0
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313596 126616229 1 OSCl2N3H23C27 ABC2D3E23F27 55.58 2.36 -8.95 -0.8 0
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313597 126616257 1 SCl2O2N3H19C26 AB2C2D3E19F26 36.62 5.31 -9.3 -1.02 0
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313598 126616260 1 Cl2N2O2F3H27C32 A2B2C2D3E27F32 -171.54 13.59 -9.52 -1.05 0
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313599 126616262 1 SCl2N3H25C29 AB2C3D25E29 117.99 3.42 -8.9 -0.66 0
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313600 126616265 1 OCl2N2H24C30 AB2C2D24E30 69.25 4.77 -8.95 -0.4 0
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313601 126616274 1 Cl2O2N4H30C33 A2B2C4D30E33 14.28 5.03 -9.13 -0.93 0
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313602 126616280 1 Cl2N2O3H26C32 A2B2C3D26E32 -8.98 5.0 -9.13 -0.65 0
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313603 126616281 1 Cl2O2N3H31C35 A2B2C3D31E35 31.13 3.22 -9.02 -0.49 0
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313604 126616283 1 SCl2F3N3O3H28C30 AB2C3D3E3F28G30 -209.35 3.29 -9.16 -1.09 0
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313605 126616284 1 ClSN4H21C26 ABC4D21E26 147.59 2.84 -8.85 -0.71 0
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313606 126616326 2 ClNOH14C15 ABCD14E15 -11.54 1.38 -8.31 -0.4 0
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313607 126616350 1 SCl2N3O4H31C35 AB2C3D4E31F35 -49.84 8.55 -8.88 -1.42 0
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313608 126616576 1 Cl2N3O4C27H27 A2B3C4D27E27 -68.75 4.74 -9.24 -1.21 0
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313609 126616578 1 ClSN4O4F6H23C30 ABC4D4E6F23G30 -348.56 12.46 -9.29 -2.19 0
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313610 126616609 1 ClS2F3N4O4H24C27 AB2C3D4E4F24G27 -227.37 8.83 -9.39 -1.14 0
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313611 126616618 1 FSCl3O3N4H32C35 ABC3D3E4F32G35 -92.84 8.71 -9.25 -1.63 0
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313612 126616620 1 SCl2O2F3N3H28C30 AB2C2D3E3F28G30 -159.26 2.71 -9.08 -1.18 0
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313613 126616626 1 ClSO2F3N4H24C25 ABC2D3E4F24G25 -135.77 3.16 -9.2 -1.09 0
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313614 126616644 1 Cl2F3N3O4H30C36 A2B3C3D4E30F36 -195.72 8.7 -8.74 -1.39 0
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313615 126616645 1 ClO2N3C28H40 AB2C3D28E40 -123.19 7.37 -9.25 -0.03 0
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313616 126616646 1 O2N3C28H39 A2B3C28D39 -85.96 4.55 -9.48 -0.04 0
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313617 126616704 1 Cl2N2O3H30C34 A2B2C3D30E34 -13.28 1.63 -8.99 -0.67 0
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313618 126616706 1 Cl2N3O4H35C37 A2B3C4D35E37 -85.31 1.56 -9.14 -0.72 0
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313619 126616707 1 Cl2O2N3H31C35 A2B2C3D31E35 48.33 2.56 -8.96 -0.75 0
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313620 126616712 1 N5H19C21 A5B19C21 114.69 1.42 -9.1 -1.1 0
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313621 126616719 1 ClSO2N4C30H33 ABC2D4E30F33 -16.54 3.73 -8.89 -0.73 0
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313622 126616720 1 ClSN4O4C24H27 ABC4D4E24F27 -68.44 8.58 -8.95 -1.07 0
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313623 126616723 1 FN4H23C28 AB4C23D28 75.95 4.9 -9.19 -0.98 0
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313624 126616725 1 BrClNO2H13C16 ABCD2E13F16 -36.33 0.8 -9.27 -1.06 0
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313625 126616731 1 ClSF3N4O4H18C20 ABC3D4E4F18G20 -179.74 5.75 -9.47 -1.46 0
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313626 126616739 1 ClFNO3H7C13 ABCD3E7F13 -38.4 4.86 -10.29 -1.94 0
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313627 126616748 1 SO2N3C25H41 AB2C3D25E41 -124.02 3.21 -8.72 0.51 0
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313628 126616751 1 SO2N3C25H41 AB2C3D25E41 -125.47 1.53 -8.65 0.4 0
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313629 126616752 1 SCl2N3O4H35C40 AB2C3D4E35F40 -34.44 5.7 -8.9 -0.83 0
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313630 126616755 1 ClN3O3C27H30 AB3C3D27E30 -64.79 5.03 -8.95 -0.91 0
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313631 126616756 1 SCl2O2F3N4H21C25 AB2C2D3E4F21G25 -139.54 4.24 -8.66 -1.04 0
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313632 126616757 1 SCl2F3N3O3C25H26 AB2C3D3E3F25G26 -234.35 7.11 -8.98 -0.8 0
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313633 126616762 1 FOCl2N4C26H27 ABC2D4E26F27 -22.56 4.6 -8.32 -0.63 0
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313634 126616763 1 ClO2N3C25H34 AB2C3D25E34 -104.72 4.99 -9.55 -0.5 0
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313635 126616764 1 O2N3C25H33 A2B3C25D33 -72.58 4.08 -9.42 -0.93 0
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313636 126616767 1 Cl3N3O3H32C34 A3B3C3D32E34 -34.4 5.14 -9.17 -0.81 0