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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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297625 117624140 1 SN6O12C51H70 AB6C12D51E70 -422.79 10.89 -8.54 -0.89 0
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297626 117624141 1 BrH13C18 AB13C18 57.86 2.92 -8.59 -0.85 0
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297627 117624162 1 N5O8C44H59 A5B8C44D59 -283.53 1.51 -8.71 -0.57 0
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297628 117624237 1 N4O5H14C16 A4B5C14D16 -58.69 5.13 -8.41 -1.71 0
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297629 117624247 1 SN2C25H34 AB2C25D34 13.85 2.55 -8.57 -0.6 0
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297630 117624257 1 S2F3N3C31H34 A2B3C3D31E34 -96.44 4.92 -8.38 -1.06 0
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297631 117624347 1 O3N4C23H24 A3B4C23D24 -37.55 4.74 -8.8 -0.52 0
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297633 117624461 1 NSH2O4F9C10 ABC2D4E9F10 -590.71 1.26 -11.09 -2.34 0
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297634 117624472 2 O2C7H13 A2B7C13 -231.36 3.51 -10.8 0.53 0
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297635 117624536 1 FIO3N5H19C23 ABC3D5E19F23 -18.99 4.93 -8.77 -0.99 0
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297636 117624540 1 O2N5C25H27 A2B5C25D27 15.23 6.88 -9.16 -1.25 0
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297637 117624543 1 N3O3H19C22 A3B3C19D22 -53.12 5.93 -9.1 -0.85 0
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297638 117624553 1 FN4O4H17C21 AB4C4D17E21 -64.04 8.2 -9.05 -1.15 0
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297639 117624565 2 NO2C10H22 AB2C10D22 -230.25 2.02 -9.43 1.64 0
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297640 117624568 1 SF4O8C13H14 AB4C8D13E14 -530.66 6.87 -10.63 -1.66 0
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297642 117624661 1 S2O19N22C92H128 A2B19C22D92E128 -604.85 2.0 -7.44 -1.16 0
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297643 117624664 1 SO19N22C93H130 AB19C22D93E130 -711.29 27.91 -7.18 -2.36 0
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297644 117624684 1 S2O18N23C89H125 A2B18C23D89E125 -607.09 15.95 -6.92 -1.51 0
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297645 117624687 1 SO20N23C89H129 AB20C23D89E129 -766.48 16.81 -7.41 -0.71 0
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297646 117624688 1 SO18N24C91H130 AB18C24D91E130 -716.14 9.79 -8.63 -0.44 0
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297647 117624712 1 SF2O18N24C89H124 AB2C18D24E89F124 -647.07 18.87 -8.88 -2.82 0
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297648 117624723 1 SN20O22C83H114 AB20C22D83E114 -852.77 28.69 -7.37 -1.25 0
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297649 117624729 1 N2O3C12H26 A2B3C12D26 -67.03 1.68 -8.87 0.18 0
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297650 117624791 2 N2C7H10 A2B7C10 40.25 2.55 -8.09 -0.27 0
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297651 117624810 1 NO7C17H33 AB7C17D33 -359.61 1.72 -9.97 0.84 0
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297652 117624819 1 O4C17H22 A4B17C22 -141.35 2.74 -8.85 -0.32 0
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297653 117624861 1 N5H29C44 A5B29C44 257.7 9.11 -8.32 -0.94 0
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297654 117624895 1 ClO4N6H11C14 AB4C6D11E14 -38.2 3.39 -9.64 -1.39 0
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297655 117624922 1 ClFO4N5H13C16 ABC4D5E13F16 -106.05 5.25 -9.65 -1.4 0
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297656 117625006 1 O2N3H19C21 A2B3C19D21 17.6 3.35 -8.81 -0.88 0
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297657 117625016 1 O4N5H21C26 A4B5C21D26 -13.99 6.14 -9.65 -1.81 0
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297658 117625069 1 NF2H31C52 AB2C31D52 135.94 4.38 -8.28 -1.24 0
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297659 117625080 2 NH22C30 AB22C30 206.48 2.66 -8.03 -1.37 2
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297660 117625115 1 SN3O9C37H43 AB3C9D37E43 -278.23 14.61 -6.77 -0.62 0
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297661 117625124 1 N3O6C44H61 A3B6C44D61 -219.61 3.55 -8.7 -1.63 0
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297662 117625139 1 NO3C28H31 AB3C28D31 -53.04 5.56 -9.02 -0.89 0
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297663 117625152 1 N8C9H10 A8B9C10 128.65 3.25 -9.26 -0.72 0
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297664 117625166 1 NOC12H25 ABC12D25 -90.33 4.06 -8.88 0.86 0
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297665 117625172 1 PSN7O7C21H32 ABC7D7E21F32 -317.64 3.23 -9.07 -0.53 0
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297666 117625175 1 O3N7C57H93 A3B7C57D93 -135.73 8.76 -8.11 -2.09 0
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297667 117625177 1 O2N6C55H90 A2B6C55D90 -102.58 7.39 -7.94 -1.89 0
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297668 117625191 1 OSN2H28C46 ABC2D28E46 194.58 3.01 -8.46 -1.24 0
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297669 117625193 2 NOH22C32 ABC22D32 190.48 2.84 -8.57 -1.27 0
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297670 117625228 1 BrN3C10H16 AB3C10D16 26.39 4.77 -9.04 0.14 0
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297671 117625249 3 OC10H10 AB10C10 -50.87 4.69 -8.78 0.02 0
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297672 117625251 1 O4N5C21H25 A4B5C21D25 -69.26 3.93 -8.72 -1.2 0
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297673 117625272 1 ClSF2N6O7C34H39 ABC2D6E7F34G39 -263.82 12.41 -8.57 -0.84 0
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297674 117625373 1 NF3O3C17H22 AB3C3D17E22 -278.9 4.2 -9.47 -0.89 0
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297675 117625378 1 NOF4C13H15 ABC4D13E15 -241.68 4.88 -9.36 -0.89 0
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297676 117625379 1 S2O3N4F6H18C21 A2B3C4D6E18F21 -324.22 6.68 -9.11 -1.71 0
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297677 117625453 1 BrF2N3C8H10 AB2C3D8E10 -68.85 3.59 -9.4 -0.06 0
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297678 117625454 1 O2N4C23H28 A2B4C23D28 7.53 3.67 -8.28 -1.12 0
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297679 117625458 2 ON2C12H14 AB2C12D14 28.52 3.28 -8.29 -1.25 0
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297680 117625509 4 NC6H6 AB6C6 109.01 2.43 -8.03 -0.15 0
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297681 117625539 1 BrN4O4F6C29H33 AB4C4D6E29F33 -465.6 6.91 -8.69 -1.36 0
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297682 117625576 1 N3O4F9C26H26 A3B4C9D26E26 -601.64 7.5 -9.59 -1.42 0
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297683 117625598 1 N5O5F6C34H39 A5B5C6D34E39 -458.4 6.51 -9.41 -1.53 0
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297684 117625650 1 PN5O7C10H14 AB5C7D10E14 -302.81 2.49 -9.46 -1.03 0
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297685 117625680 1 O3N4F6C30H36 A3B4C6D30E36 -412.99 4.0 -8.76 -1.39 0
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297686 117625718 1 NO2C13H27 AB2C13D27 -114.82 2.31 -10.13 0.62 0
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297687 117625797 1 ClSF2N2O4C19H19 ABC2D2E4F19G19 -194.73 3.26 -9.6 -0.8 0
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297689 117625811 1 SN2O2C18H20 AB2C2D18E20 -5.47 3.48 -8.78 -0.31 0
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297691 117625824 1 N4O7C40H54 A4B7C40D54 -276.26 7.15 -8.8 -0.4 0
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297692 117625826 1 SN4O5H12C14 AB4C5D12E14 -51.05 3.37 -9.57 -2.28 0
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297693 117625856 1 SN3O6C17H21 AB3C6D17E21 -130.02 3.54 -9.24 -0.9 0
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297694 117625906 1 ON7C25H29 AB7C25D29 47.47 7.48 -8.89 -0.95 0
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297695 117625994 1 SO3N7C25H27 AB3C7D25E27 13.09 4.07 -8.43 -0.87 0
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297696 117626036 1 O2N5H27C28 A2B5C27D28 25.47 3.23 -9.05 -0.94 0
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297697 117626082 1 O2F3N9C20H24 A2B3C9D20E24 -161.2 6.38 -8.38 -1.1 0
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297698 117626097 1 N3O5C40H51 A3B5C40D51 -154.93 3.13 -7.86 -0.22 0
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297699 117626125 1 NO10C49H87 AB10C49D87 -613.77 7.58 -9.19 0.3 0
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297700 117626126 1 NO8C34H55 AB8C34D55 -435.79 2.38 -9.18 0.3 0
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297701 117626127 1 NO4C31H53 AB4C31D53 -272.67 3.22 -9.4 1.02 0
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297702 117626280 1 ClSO2N3C9H10 ABC2D3E9F10 38.19 6.06 -9.53 -1.91 0
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297703 117626368 1 ClFIO3N7C33H34 ABCD3E7F33G34 -20.11 9.87 -8.82 -1.22 0
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297704 117626435 1 O4N5C24H37 A4B5C24D37 -126.9 6.2 -8.62 -0.53 0
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297705 117626443 2 NOC14H14 ABC14D14 -7.13 7.66 -8.82 -0.88 0
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297706 117626454 1 SN3O6C19H23 AB3C6D19E23 -199.99 8.85 -9.35 -1.2 0
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297707 117626485 1 IOC10H19 ABC10D19 -36.8 2.39 -9.78 -0.79 0
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297708 117626489 2 O5C16H24 A5B16C24 -494.44 6.12 -10.68 -0.15 0
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297709 117626495 1 O2N3C26H33 A2B3C26D33 -40.38 2.62 -8.42 -0.02 0
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297710 117626546 1 N3O3C26H33 A3B3C26D33 -115.0 6.52 -8.63 -0.2 0
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297711 117626621 1 O2F3N4C24H25 A2B3C4D24E25 -162.69 7.53 -8.78 -0.84 0
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297712 117626635 1 N2O2S2C11H16 A2B2C2D11E16 -65.47 3.58 -8.97 -1.24 0
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297713 117626650 1 NO4C30H45 AB4C30D45 -208.37 4.75 -9.28 0.22 0
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297714 117626652 1 SN7O13C51H69 AB7C13D51E69 -431.04 6.16 -8.32 -0.51 0
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297715 117626691 1 SN3O4C26H33 AB3C4D26E33 -133.09 5.24 -8.44 -0.39 0
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297717 117626720 1 SN6O16C58H94 AB6C16D58E94 -789.3 7.71 -8.56 -0.16 0
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297718 117626722 1 O7C14H22 A7B14C22 -338.74 1.62 -10.11 0.5 0
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297719 117626736 1 ISN5O9C42H62 ABC5D9E42F62 -403.45 6.54 -9.25 -1.03 0
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297720 117626780 1 FN4O8C33H47 AB4C8D33E47 -429.25 10.63 -9.56 -0.56 0
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297721 117626848 1 NSNa2O5C8H9 ABC2D5E8F9 -332.53 7.7 -8.87 0.04 0
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297722 117626862 1 SO3N5C22H23 AB3C5D22E23 -40.74 6.29 -9.12 -1.53 0
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297723 117626880 1 ClOSN2H9C13 ABCD2E9F13 25.74 8.08 -9.15 -1.1 0
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297724 117626909 1 SO3N5C24H27 AB3C5D24E27 -34.34 4.65 -8.9 -1.23 0
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297725 117626973 1 FSO2N6C23H23 ABC2D6E23F23 -16.73 5.96 -8.85 -1.32 0
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297726 117627081 2 NOC16H19 ABC16D19 -40.96 6.14 -8.84 -0.73 0
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297727 117627296 1 N6O6C37H50 A6B6C37D50 -214.79 6.44 -9.09 -1.27 0
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297728 117627300 1 PO4C8H15 AB4C8D15 -231.4 5.4 -10.66 -0.85 0
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297729 117627370 1 SC4N4H12 AB4C4D12 54.3 2.53 -8.88 0.16 0