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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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143636 53239809 1 PSC18H23 ABC18D23 10.54 1.58 -8.45 0.13 0
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143637 53240014 1 ClSO2N4C21H21 ABC2D4E21F21 35.53 5.14 -9.42 -1.17 0
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143638 53240559 2 OC15H25 AB15C25 -166.72 3.45 -9.03 1.53 0
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143639 53241277 1 OSCl2N4C19H20 ABC2D4E19F20 34.31 5.12 -8.56 -0.96 0
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143640 53241278 1 ClOSN3C21H24 ABCD3E21F24 26.8 6.16 -8.01 -1.2 0
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143641 53241279 1 BrNSO6C23H26 ABCD6E23F26 -193.29 1.46 -9.06 -0.91 0
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143642 53241280 1 BrSN2O6C21H25 ABC2D6E21F25 -182.26 4.88 -8.21 -0.83 0
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143643 53241281 1 BrNSO6C20H22 ABCD6E20F22 -191.28 5.45 -9.17 -1.04 0
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143644 53241631 2 ClNOC8H12 ABCD8E12 -78.08 3.63 -8.73 0.02 0
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143645 53242072 1 Cl2O4N8H42C47 A2B4C8D42E47 7.27 7.19 -8.75 -0.97 0
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143646 53242114 1 FN6O6C36H47 AB6C6D36E47 -274.01 5.71 -8.87 -0.6 0
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143648 53242531 1 SiO4C25H38 AB4C25D38 -104.12 7.5 -8.93 -0.84 0
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143649 53242532 1 SiO4C25H38 AB4C25D38 -242.85 4.98 -8.93 -0.86 0
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143650 53242630 1 ClN2H9C13 AB2C9D13 54.57 4.0 -9.21 -1.11 0
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143651 53242701 1 N4O5C13H16 A4B5C13D16 -153.51 5.08 -9.72 -1.17 0
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143652 53242702 1 ClFN2O3H22C23 ABC2D3E22F23 -103.84 8.91 -9.15 -1.17 0
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143653 53243647 1 BNF3C8H17 ABC3D8E17 -299.03 12.73 -10.24 0.28 0
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143654 53243648 1 N2O3C24H30 A2B3C24D30 -73.63 3.55 -8.39 -0.41 0
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143655 53244074 1 BClSiO4C22H30 ABCD4E22F30 -267.78 2.99 -8.53 -0.18 0
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143656 53244075 1 BrNO2H18C19 ABC2D18E19 -10.67 1.85 -8.57 -0.64 0
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143657 53244479 2 NO3C12H12 AB3C12D12 -155.93 2.11 -8.48 -1.64 0
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143658 53244488 1 ClN6H7C11 AB6C7D11 148.45 4.72 -9.84 -1.71 0
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143659 53245088 1 O2F3N4C27H29 A2B3C4D27E29 -161.28 9.17 -8.81 -0.71 0
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143660 53245119 1 ON2C27H30 AB2C27D30 13.02 4.42 -8.84 -0.28 0
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143661 53245159 1 FCl2N2H15C16 AB2C2D15E16 -7.96 5.17 -8.57 -0.38 0
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143662 53245321 1 SN3O4C20H25 AB3C4D20E25 -100.68 7.18 -9.22 -0.56 0
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143663 53245322 1 ClSO3N4H25C26 ABC3D4E25F26 0.92 7.08 -9.26 -0.68 0
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143664 53245505 1 F2O3N9H19C23 A2B3C9D19E23 10.33 6.98 -9.07 -1.24 0
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143665 53245509 1 FO3N9H20C23 AB3C9D20E23 57.82 7.84 -9.0 -1.2 0
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143666 53246366 1 SO3N4C24H26 AB3C4D24E26 -38.82 5.71 -9.31 -0.88 0
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143667 53246367 1 SN3O3C26H29 AB3C3D26E29 -61.64 8.54 -9.23 -0.49 0
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143668 53246368 1 SN3O3C23H31 AB3C3D23E31 -84.48 7.31 -9.03 -0.57 0
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143669 53246369 1 SN2O4C24H26 AB2C4D24E26 -90.39 7.96 -9.37 -0.63 0
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143670 53246370 1 SN3O3C24H25 AB3C3D24E25 -46.74 8.8 -9.49 -0.71 0
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143671 53246371 1 O2F3N3H20C24 A2B3C3D20E24 -131.87 4.89 -8.89 -0.81 0
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143672 53246372 1 O2N3H23C27 A2B3C23D27 49.26 2.95 -8.79 -0.74 0
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143673 53246373 1 SN3O4C30H33 AB3C4D30E33 -110.06 6.55 -8.64 -1.02 0
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143674 53246374 1 SN2O6C33H36 AB2C6D33E36 -201.21 4.29 -8.74 -1.16 0
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143675 53246434 1 SN7O9C40H51 AB7C9D40E51 -271.81 9.57 -8.53 -0.36 0
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143676 53246657 1 ClFO2N4H22C25 ABC2D4E22F25 -43.86 5.4 -8.92 -0.59 0
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143677 53246697 1 N5O7C51H77 A5B7C51D77 -303.22 10.68 -8.82 -0.32 0
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143678 53246752 1 N5H19C21 A5B19C21 168.86 5.2 -8.47 -0.88 0
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143679 53247008 3 FNOC8H8 ABCD8E8 -235.82 7.0 -7.91 -0.98 0
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143680 53247018 2 SO2N3C28H30 AB2C3D28E30 -62.57 5.74 -8.65 -0.75 0
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143681 53247177 1 O4N5C35H43 A4B5C35D43 -109.25 8.92 -9.02 -0.59 0
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143682 53247178 1 FN3C22H22 AB3C22D22 37.18 3.43 -8.33 -0.65 0
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143683 53247179 1 N3C23H25 A3B23C25 74.32 3.87 -8.15 -0.53 0
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143684 53247180 2 ON2C11H13 AB2C11D13 6.32 4.91 -7.97 -0.14 0
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143685 53247596 1 SN2O4C18H32 AB2C4D18E32 -197.98 8.21 -8.6 -0.17 0
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143686 53247632 1 N3O3C26H33 A3B3C26D33 -110.12 9.42 -8.04 -0.9 0
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143687 53247845 1 NSiO4C18H35 ABC4D18E35 -263.36 5.36 -8.85 0.27 0
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143688 53248016 1 NSiI2O2C17H25 ABC2D2E17F25 -102.81 1.78 -8.89 -1.02 0
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143689 53248196 1 NO9C32H43 AB9C32D43 -281.03 2.02 -9.35 -0.02 0
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143690 53248374 1 NaN2S2C8H13 AB2C2D8E13 2.6 4.36 -7.83 0.26 0
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143691 53248898 1 N2O5C10H16 A2B5C10D16 -206.9 3.6 -10.21 0.0 0
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143692 53249432 2 O2C3H4 A2B3C4 -181.51 4.35 -10.98 0.07 0
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143693 53249433 1 ON4C6H14 AB4C6D14 15.18 4.32 -8.75 0.4 0
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143694 53249438 1 TeN4O12 AB4C12 -61.76 5.24 -9.14 -2.84 0
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143695 53249466 1 NaN2S2O6C25H27 AB2C2D6E25F27 -206.07 12.79 -6.92 -1.02 0
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143696 53249467 1 N2S2O6C25H28 A2B2C6D25E28 -167.05 5.38 -9.01 -1.38 0
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143697 53250185 1 SO2N3H17C18 AB2C3D17E18 -12.01 4.71 -8.74 -1.19 0
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143698 53250186 1 SO2N6C28H30 AB2C6D28E30 7.55 9.38 -8.26 -1.42 0
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143699 53250405 1 ON5C27H39 AB5C27D39 -24.68 5.17 -8.89 -0.48 0
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143700 53250937 1 FN2H21C22 AB2C21D22 19.94 1.87 -8.19 -0.58 0
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143701 53251089 1 ON2S2C65H76 AB2C2D65E76 131.85 2.23 -7.88 -0.91 0
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143702 53251090 1 ON3H17C18 AB3C17D18 35.45 3.18 -8.9 -1.29 0
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143703 53251091 1 ClFON2H16C17 ABCD2E16F17 -53.41 1.58 -8.8 -1.07 0
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143704 53251092 1 ClON3C17H18 ABC3D17E18 -2.83 2.17 -8.71 -1.3 0
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143705 53251093 1 ClN2O2C18H19 AB2C2D18E19 -41.03 1.78 -8.64 -0.96 0
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143706 53251427 4 NC5H5 AB5C5 89.39 2.18 -8.33 -1.01 0
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143707 53251428 4 NC5H5 AB5C5 90.4 3.8 -8.32 -0.86 0
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143708 53251546 1 OSF3N6H17C19 ABC3D6E17F19 -97.05 2.78 -8.82 -1.17 1
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143709 53252139 1 N2O2C38H45 A2B2C38D45 34.81 3.35 0.0 0.0 0
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143710 53252140 1 BrN2O2C40H49 AB2C2D40E49 13.39 4.79 -7.82 -1.58 0
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143711 53252206 1 FOSN4H5C12 ABCD4E5F12 66.96 2.13 -9.93 -2.18 0
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143712 53252246 1 ClFSO2N5H15C18 ABCD2E5F15G18 -47.96 5.98 -9.06 -1.68 0
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143713 53252473 1 KN2S2O8C34H35 AB2C2D8E34F35 -183.5 27.18 -8.64 -2.77 1
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143714 53252474 1 N2S2O8C34H37 A2B2C8D34E37 -204.53 3.62 0.0 0.0 0
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143715 53252475 1 IN2O2C36H41 AB2C2D36E41 62.97 10.38 -7.06 -2.18 1
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143716 53252476 1 N2O2C36H41 A2B2C36D41 31.43 2.97 0.0 0.0 0
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143717 53252477 1 SN4O4C29H32 AB4C4D29E32 -81.75 5.83 -7.94 -0.42 0
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143718 53252478 1 SN2O2C20H22 AB2C2D20E22 -21.66 3.59 -9.01 -0.27 0
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143719 53252479 1 SO2N5C26H27 AB2C5D26E27 -0.13 7.58 -8.62 -0.65 0
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143720 53252480 1 N3O3C25H31 A3B3C25D31 -78.59 1.55 -8.21 0.06 0
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143721 53253090 1 SN2O5H24C26 AB2C5D24E26 -138.9 4.84 -8.97 -0.77 0
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143722 53253216 1 O8C27H32 A8B27C32 -249.14 5.78 -10.08 -1.26 0
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143723 53253217 2 ON2H9C10 AB2C9D10 2.89 2.62 -8.19 -1.16 0
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143724 53253218 2 ON2H9C10 AB2C9D10 4.24 4.26 -8.23 -1.19 0
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143725 53253219 1 N3O3H17C19 A3B3C17D19 -38.87 5.29 -8.17 -1.12 0
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143726 53253220 1 SO2N3H17C19 AB2C3D17E19 -0.99 4.23 -8.24 -1.16 0
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143727 53253221 1 N4O4C25H26 A4B4C25D26 -101.47 7.04 -8.46 -1.31 0
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143728 53253222 1 SN3O4C24H25 AB3C4D24E25 -107.35 6.16 -8.24 -1.37 0
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143729 53253223 1 NPSF3O8C24H27 ABCD3E8F24G27 -536.9 5.52 -9.14 -0.89 0
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143730 53253224 1 ClNPSO8C23H27 ABCDE8F23G27 -385.35 1.06 -9.04 -0.98 0
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143731 53253225 1 NSO5C24H27 ABC5D24E27 -196.26 2.57 -8.98 -0.97 0
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143732 53253226 1 NSO6C21H21 ABC6D21E21 -211.66 5.96 -9.05 -0.85 0
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143733 53253227 1 ClO2N3C36H44 AB2C3D36E44 -46.21 6.93 -8.08 -0.68 0
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143734 53253228 1 N3C22H23 A3B22C23 73.56 4.37 -8.06 -0.5 0
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143735 53253229 1 N3H21C22 A3B21C22 208.77 4.05 -8.01 -0.7 0
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143736 53253230 1 N3H21C22 A3B21C22 208.77 4.04 -8.01 -0.7 0