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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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193694 78425270 1 Br2O2C11H11 A2B2C11D11 -20.1 2.43 0.0 0.0 0
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193695 78426065 1 N3O3C16H27 A3B3C16D27 -144.79 2.71 -8.99 0.56 0
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193696 78426066 1 N3O4C15H25 A3B4C15D25 -187.72 5.96 -9.26 0.59 0
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193697 78426067 1 FCl2S2O3N7H10C18 AB2C2D3E7F10G18 37.54 10.4 -8.88 -2.03 0
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193698 78426068 1 Cl2S2O3N7H11C18 A2B2C3D7E11F18 80.94 12.37 -8.77 -1.96 0
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193699 78426182 1 FN3O6C25H28 AB3C6D25E28 -247.04 3.91 -8.17 -1.48 0
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193700 78426235 1 Cl2N2O9C43H50 A2B2C9D43E50 35.94 58.33 -5.99 -5.19 0
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193701 78426248 1 OF3N4C17H27 AB3C4D17E27 -186.6 4.93 -8.66 -0.53 0
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193702 78426815 1 ClF2O3N4H23C29 AB2C3D4E23F29 -91.73 3.61 -8.93 -1.09 0
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193703 78426816 1 F2O3N4H26C30 A2B3C4D26E30 -88.92 3.81 -8.83 -1.0 0
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193704 78427174 1 O3N5H19C26 A3B5C19D26 64.68 11.55 -8.95 -1.16 0
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193705 78427175 1 O3N6H24C28 A3B6C24D28 63.73 14.02 -8.47 -1.03 0
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193706 78427176 1 O3N5H17C21 A3B5C17D21 40.54 12.17 -8.83 -1.11 0
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193707 78427177 1 O4N5H23C28 A4B5C23D28 23.59 13.43 -8.68 -1.03 0
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193708 78427178 1 O3N6H28C34 A3B6C28D34 57.33 12.67 -8.4 -0.98 0
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193709 78427398 1 SO2N3H13C18 AB2C3D13E18 50.93 4.78 -8.86 -1.49 0
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193710 78427399 1 SO2N4H12C17 AB2C4D12E17 63.43 2.75 -9.02 -1.63 0
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193711 78427400 1 SO2N4H12C19 AB2C4D12E19 84.93 5.28 -9.07 -1.63 0
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193712 78428070 1 SO2F3N3C15H16 AB2C3D3E15F16 -191.98 8.03 -9.2 -1.12 0
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193713 78428071 1 S2F3N3O4H18C20 A2B3C3D4E18F20 -231.79 10.24 -9.27 -1.74 1
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193714 78428547 1 ON2C18H21 AB2C18D21 15.75 3.22 0.0 0.0 -1
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193715 78429094 1 FNO5H15C16 ABC5D15E16 -169.75 3.76 0.0 0.0 0
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193716 78429095 1 SO2N3C13H15 AB2C3D13E15 -44.34 7.22 -9.69 -0.76 0
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193717 78429096 1 SN2O3C18H18 AB2C3D18E18 -40.19 5.15 -9.79 -0.93 0
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193718 78429161 1 N2O3C14H18 A2B3C14D18 -87.72 14.73 -9.37 -1.2 1
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193719 78429259 1 FON3C17H21 ABC3D17E21 -32.73 1.94 0.0 0.0 1
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193720 78429477 1 SO2N3C23H24 AB2C3D23E24 -12.28 6.41 0.0 0.0 -1
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193721 78429816 1 NSF3O4H11C18 ABC3D4E11F18 -274.54 5.26 0.0 0.0 1
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193722 78429840 1 ClO2N3C21H27 AB2C3D21E27 7.5 5.4 0.0 0.0 1
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193723 78430128 1 ON3C25H26 AB3C25D26 48.84 7.07 0.0 0.0 0
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193724 78430379 1 NO5C26H33 AB5C26D33 -188.46 3.71 -8.45 -0.41 0
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193725 78430380 1 NSO5H25C29 ABC5D25E29 -95.16 3.82 -8.58 -0.74 -1
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193726 78430427 1 INO4H17C18 ABC4D17E18 -79.53 3.39 0.0 0.0 1
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193727 78430465 1 O3N5C19H22 A3B5C19D22 -73.69 3.73 0.0 0.0 -1
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193728 78430940 1 O2N3H18C19 A2B3C18D19 83.01 4.29 0.0 0.0 -1
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193729 78431245 1 NO4H24C30 AB4C24D30 8.03 37.09 0.0 0.0 0
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193730 78431256 1 NO3C23H29 AB3C23D29 -128.09 1.73 -8.91 -0.66 0
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193731 78431352 1 NO6C30H35 AB6C30D35 -195.43 3.39 -8.52 -0.77 3
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193732 78431630 1 N3C23H42 A3B23C42 50.22 4.7 0.0 0.0 1
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193733 78432042 1 O2N6C22H37 A2B6C22D37 -46.05 4.79 0.0 0.0 1
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193734 78432043 1 O2N6C23H39 A2B6C23D39 -57.45 6.12 0.0 0.0 0
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193735 78432269 1 O2N3C7H11 A2B3C7D11 -55.51 8.46 -9.53 -0.04 1
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193736 78432930 1 FN3O4C22H23 AB3C4D22E23 -123.83 4.22 0.0 0.0 1
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193737 78433692 1 OS2N3C23H24 AB2C3D23E24 26.44 3.41 0.0 0.0 1
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193738 78433865 1 O2N6C22H37 A2B6C22D37 -35.45 12.55 0.0 0.0 1
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193739 78433922 1 O3N4C24H27 A3B4C24D27 -19.92 29.26 0.0 0.0 1
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193740 78433994 1 SO3N5C20H26 AB3C5D20E26 -16.57 9.96 0.0 0.0 1
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193741 78433995 1 O2N4C20H31 A2B4C20D31 -38.67 11.82 0.0 0.0 1
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193742 78433996 1 OSN3C17H20 ABC3D17E20 15.4 9.86 0.0 0.0 0
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193743 78433997 1 N2O3C24H28 A2B3C24D28 -74.34 0.98 -8.09 0.08 0