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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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133611 51562347 1 ClFNOC16H19 ABCDE16F19 -78.01 4.6 -8.85 -0.37 0
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133612 51562348 1 ClFNOC16H19 ABCDE16F19 -77.88 4.37 -8.86 -0.38 -1
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133613 51562479 1 PO3N4C9H10 AB3C4D9E10 -61.45 5.47 0.0 0.0 -1
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133614 51562583 1 N2O4C18H25 A2B4C18D25 -135.46 3.87 0.0 0.0 0
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133615 51562827 1 ClSO3N6H17C18 ABC3D6E17F18 56.72 9.23 -9.77 -1.75 1
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133616 51563415 1 F2N3O5C16H24 A2B3C5D16E24 -279.37 2.82 0.0 0.0 1
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133617 51563847 1 O2N4C23H31 A2B4C23D31 -51.63 5.49 0.0 0.0 1
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133618 51563848 1 O2N3C21H28 A2B3C21D28 -40.97 3.44 0.0 0.0 1
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133619 51563849 1 OSN3C22H30 ABC3D22E30 -15.93 4.49 0.0 0.0 0
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133620 51563850 1 OSN3C22H29 ABC3D22E29 -11.03 6.21 -8.64 -0.36 1
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133621 51563851 1 OSN3C22H30 ABC3D22E30 -9.93 5.47 0.0 0.0 1
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133622 51563913 1 O2N4C21H25 A2B4C21D25 -23.36 6.1 0.0 0.0 0
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133623 51564133 1 FSN2O3C18H25 ABC2D3E18F25 -167.11 5.26 -9.33 -0.76 0
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133624 51564195 1 O2N3C23H25 A2B3C23D25 -52.09 3.69 -8.57 -0.56 1
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133625 51564796 1 Br2N2O2C16H25 A2B2C2D16E25 -49.44 12.89 0.0 0.0 -1
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133626 51564868 1 BrN2O5H14C19 AB2C5D14E19 -114.75 2.87 0.0 0.0 0
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133627 51564889 2 SO2N3C9H12 AB2C3D9E12 -140.41 3.95 -8.78 -0.36 -1
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133628 51564943 1 SN3O3H16C17 AB3C3D16E17 -32.5 4.63 0.0 0.0 0
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133629 51565158 3 NOC8H11 ABC8D11 -135.03 3.4 -9.37 -0.15 1
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133630 51565579 1 FN2O4C23H30 AB2C4D23E30 -152.46 2.35 0.0 0.0 0
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133631 51566132 1 O2S2N3C20H21 A2B2C3D20E21 -16.77 3.4 -8.58 -1.42 0
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133632 51566140 1 O2S2N3C16H21 A2B2C3D16E21 -54.71 4.46 -8.98 -1.16 1
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133633 51566627 1 SO2N3C17H26 AB2C3D17E26 -66.3 16.56 0.0 0.0 0
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133634 51567091 1 S2N3O5H17C19 A2B3C5D17E19 -57.32 5.79 -9.59 -1.59 -1
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133635 51567176 1 ClFNSO4C12H14 ABCDE4F12G14 -197.29 3.15 0.0 0.0 -1
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133636 51567256 1 S2N3O3C8H10 A2B3C3D8E10 -46.69 7.95 0.0 0.0 0
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133637 51567512 1 N3O3C29H31 A3B3C29D31 -31.15 4.59 -8.48 -0.36 0
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133638 51567761 1 SO3N4C20H22 AB3C4D20E22 -5.06 4.25 -8.43 -0.69 0
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133639 51567808 1 SN5O5C8H11 AB5C5D8E11 -157.35 3.45 -10.02 -1.42 0
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133640 51567860 1 N2O3C14H22 A2B3C14D22 -133.51 4.28 -8.76 0.27 0
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133641 51568103 1 NO5C23H29 AB5C23D29 -222.75 6.3 -9.16 -0.23 0
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133642 51568342 1 SO2N4C21H30 AB2C4D21E30 -40.11 3.94 -8.51 -0.4 0
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133643 51568343 1 SO2N4C21H30 AB2C4D21E30 -34.78 1.71 -8.58 -0.49 0
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133644 51568636 1 BrNSO4H12C13 ABCD4E12F13 -150.8 3.67 -9.33 -0.89 0
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133645 51568668 1 FN2O4H13C17 AB2C4D13E17 -157.5 5.44 -9.4 -0.96 1
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133646 51568828 1 N2O2C11H19 A2B2C11D19 -28.27 2.48 0.0 0.0 1
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133647 51568861 1 ClFOSN5H16C18 ABCDE5F16G18 5.51 2.08 0.0 0.0 -1
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133648 51569087 1 NOS3H6C9 ABC3D6E9 64.12 5.84 0.0 0.0 0
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133649 51569159 1 FN4O4H19C22 AB4C4D19E22 -146.94 7.93 -8.3 -0.35 0
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133650 51569262 1 O3N4C30H32 A3B4C30D32 -17.97 8.57 -8.57 -0.38 0
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133651 51569263 1 O3N4C30H32 A3B4C30D32 -31.05 4.79 -8.56 -0.28 -1
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133652 51569772 1 ClSN3O3H9C12 ABC3D3E9F12 -56.16 3.86 0.0 0.0 0
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133653 51569839 1 SO2C10H12 AB2C10D12 -80.43 6.86 -9.48 -1.03 -1
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133654 51570070 1 ClSN2O4C19H22 ABC2D4E19F22 -112.59 3.93 0.0 0.0 -2
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133655 51570071 1 ClN3O7H8C17 AB3C7D8E17 37.95 12.63 -9.44 -6.08 0
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133656 51570125 1 SN2O3C20H26 AB2C3D20E26 -116.11 1.73 -8.94 -0.7 1
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133657 51570699 1 SN2O4C21H21 AB2C4D21E21 -126.4 2.26 0.0 0.0 0
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133658 51570700 1 OSN6C20H24 ABC6D20E24 95.99 6.02 -8.61 -1.14 0
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133659 51570701 1 OSN6C20H24 ABC6D20E24 95.04 5.25 -8.57 -0.98 -1
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133660 51570702 1 S2O3N4C17H23 A2B3C4D17E23 -61.88 6.01 0.0 0.0 0
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133661 51570703 1 F2O4N7C15H17 A2B4C7D15E17 -95.18 4.32 -9.83 -1.06 0
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133662 51570704 1 F2O4N7C15H17 A2B4C7D15E17 -94.67 2.11 -9.93 -1.05 0
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133663 51570705 1 SF2O3N7H13C14 AB2C3D7E13F14 20.15 7.61 -9.21 -1.79 1
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133664 51570706 1 N3O6C20H20 A3B6C20D20 -101.82 6.68 0.0 0.0 -1
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133665 51570707 1 SN5O6C15H18 AB5C6D15E18 -118.63 6.85 0.0 0.0 0
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133666 51570826 2 NO2C11H13 AB2C11D13 -124.34 4.46 -8.8 -0.27 0
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133667 51570867 1 SO3N5C19H33 AB3C5D19E33 -122.93 8.08 -8.32 -0.11 -1
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133668 51571442 1 O4N7H24C26 A4B7C24D26 38.17 7.52 0.0 0.0 0
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133669 51572034 1 N5O5C21H27 A5B5C21D27 -170.87 4.12 -9.4 -1.18 -1
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133670 51572105 1 ClO2S2N3H15C21 AB2C2D3E15F21 83.15 4.68 0.0 0.0 0
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133671 51572178 1 ClSN3O4C22H22 ABC3D4E22F22 -87.52 1.05 -8.9 -1.33 0
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133672 51572275 1 SN2O4C20H20 AB2C4D20E20 -111.08 10.25 -8.93 -1.07 0
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133673 51572544 1 OS2N5C21H25 AB2C5D21E25 51.78 5.95 -8.48 -1.0 0
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133674 51572986 1 SN2O3C21H22 AB2C3D21E22 -48.53 4.69 -8.56 -0.98 0
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133675 51573818 1 SN2O3H16C18 AB2C3D16E18 -72.37 3.23 -8.76 -0.67 0
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133676 51574152 1 ClO2N6H15C18 AB2C6D15E18 43.74 3.47 -9.78 -1.19 0
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133677 51574153 1 O2N6H18C19 A2B6C18D19 43.79 3.28 -9.48 -1.15 0
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133678 51574154 1 O2N6H18C19 A2B6C18D19 42.45 4.77 -9.5 -1.08 0
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133679 51574155 1 O2N6H18C19 A2B6C18D19 49.03 5.55 -9.86 -1.03 0
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133680 51574156 1 O2N6H18C19 A2B6C18D19 48.86 4.34 -9.82 -1.08 0
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133681 51574157 1 S2N4O4H18C21 A2B4C4D18E21 -18.88 6.92 -9.14 -1.01 0
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133682 51574179 1 SO2N4C21H22 AB2C4D21E22 54.04 2.95 -9.17 -0.82 0
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133683 51574180 1 SO2N4C21H22 AB2C4D21E22 56.81 1.95 -8.8 -0.5 0
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133684 51574181 1 SO2N6C18H18 AB2C6D18E18 97.71 4.39 -8.89 -0.92 0
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133685 51574221 1 N2O5C15H20 A2B5C15D20 -124.25 4.72 -8.51 -0.42 -1
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133686 51574322 1 O2N4C12H13 A2B4C12D13 24.73 2.42 0.0 0.0 0
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133687 51574866 1 FN3O5H16C23 AB3C5D16E23 -47.89 3.4 -9.25 -1.6 0
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133688 51575003 1 NSO3C21H21 ABC3D21E21 -78.35 2.79 -8.92 -0.66 0
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133689 51575048 1 SN2O3C15H18 AB2C3D15E18 -106.45 2.69 -9.18 -0.34 0
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133690 51575118 1 FN2O2C22H25 AB2C2D22E25 -104.86 5.17 -9.44 -0.34 0
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133691 51575455 1 N4O5C24H28 A4B5C24D28 -171.94 6.16 -8.6 -0.18 -1
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133692 51575684 1 ClOF3N3H6C11 ABC3D3E6F11 -95.41 9.11 0.0 0.0 0
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133693 51575770 1 N2O5H22C26 A2B5C22D26 -87.99 4.31 -9.06 -0.82 0
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133694 51576073 1 NO4H19C21 AB4C19D21 -125.96 8.22 -9.66 -0.79 0
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133695 51576226 1 FN3O3C24H30 AB3C3D24E30 -136.65 2.29 -8.85 -0.38 -2
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133696 51576489 1 NO4C25H31 AB4C25D31 -137.36 4.15 -8.08 -0.17 -2
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133697 51576490 1 F2O5C24H26 A2B5C24D26 -306.15 5.36 -9.38 -0.74 0
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133698 51576491 1 F2O5C24H28 A2B5C24D28 -308.34 10.22 -8.78 -0.02 -1
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133699 51576546 1 SO2N3F4H8C13 AB2C3D4E8F13 -186.21 2.63 0.0 0.0 0
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133700 51576547 2 NO2H9C10 AB2C9D10 -49.47 7.67 -9.72 -1.32 0
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133701 51576548 1 ClSN2O5H21C25 ABC2D5E21F25 -104.33 4.42 -8.91 -0.85 0
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133702 51576549 1 N2O2H20C25 A2B2C20D25 23.72 4.86 -9.28 -0.23 0
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133703 51576618 1 ON2C13H22 AB2C13D22 -1.68 1.25 -8.41 0.76 0
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133704 51576619 1 N2O4H24C25 A2B4C24D25 -93.54 3.88 -8.72 -0.72 0
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133705 51576620 1 SCl2N2O3C21H26 AB2C2D3E21F26 -152.03 5.37 -9.18 -0.78 0
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133706 51576924 1 N3O4C25H25 A3B4C25D25 -81.36 1.82 -8.66 -0.51 0
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133707 51577309 1 NO3H11C18 AB3C11D18 -21.73 3.29 -9.52 -2.52 0
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133708 51577364 1 ClN2O6H23C26 AB2C6D23E26 -123.28 1.44 -8.84 -0.51 -1
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133709 51577518 1 BrOS2N5H13C17 ABC2D5E13F17 117.01 3.26 0.0 0.0 0
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133710 51577920 1 N3O6H21C25 A3B6C21D25 -42.82 7.28 -8.56 -0.88 0