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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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39053 8138566 1 N2Cl3O4C15H15 A2B3C4D15E15 -144.56 3.15 -9.61 -1.34 0
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39054 8138579 1 N2O4H24C25 A2B4C24D25 -78.22 7.72 -8.04 -1.54 0
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39055 8138707 1 S2N3O3C16H17 A2B3C3D16E17 -44.61 2.67 -8.84 -0.41 1
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39056 8138944 1 N2O2C22H27 A2B2C22D27 -28.15 6.0 0.0 0.0 1
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39057 8138970 1 N2O4C23H23 A2B4C23D23 -73.55 21.96 0.0 0.0 1
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39058 8138982 1 F2N2O2C20H21 A2B2C2D20E21 -108.22 5.71 0.0 0.0 0
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39059 8139094 1 NO5C20H23 AB5C20D23 -166.15 8.9 -8.86 -0.77 1
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39060 8139211 1 SN2O3C23H29 AB2C3D23E29 -79.04 3.4 0.0 0.0 0
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39061 8139233 1 ClN2O4C22H25 AB2C4D22E25 -112.77 7.17 -8.61 -0.43 0
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39062 8139252 1 SO2N5C15H21 AB2C5D15E21 -17.53 3.29 -9.26 -0.81 1
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39063 8139307 1 N2O3C24H29 A2B3C24D29 -52.42 5.71 0.0 0.0 0
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39064 8139355 1 SN2O4C22H26 AB2C4D22E26 -125.13 3.71 -8.64 -0.64 0
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39065 8139417 1 N2O5C22H22 A2B5C22D22 -153.35 5.2 -9.35 -1.5 0
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39066 8139477 1 ClN3O4H16C19 AB3C4D16E19 -57.5 2.37 -9.58 -0.88 0
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39067 8139520 1 FN2O3C21H23 AB2C3D21E23 -113.09 4.81 -8.63 -0.34 0
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39068 8139525 2 ON2C12H13 AB2C12D13 9.9 5.39 -8.71 -0.69 1
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39069 8139546 1 FN2O3C24H24 AB2C3D24E24 -50.46 18.37 0.0 0.0 1
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39070 8139548 1 N2O4C23H29 A2B4C23D29 -109.71 6.05 0.0 0.0 1
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39071 8139620 1 O2N4C19H21 A2B4C19D21 12.19 4.35 0.0 0.0 0
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39072 8139634 1 OSN2C20H26 ABC2D20E26 -16.74 5.17 -8.63 -0.22 0
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39073 8139638 1 BrOSN2C20H25 ABCD2E20F25 -14.98 1.71 -8.66 -0.66 0
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39074 8139643 1 ClN2O4H17C19 AB2C4D17E19 -57.36 3.59 -9.14 -0.91 1
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39075 8139651 1 ON2C21H29 AB2C21D29 -0.12 5.32 0.0 0.0 1
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39076 8139654 1 N2O2C23H25 A2B2C23D25 11.74 2.68 0.0 0.0 0
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39077 8139655 1 N2O2C23H24 A2B2C23D24 -3.65 4.02 -8.95 -0.43 0
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39078 8139656 1 ClFN2O4H14C18 ABC2D4E14F18 -112.14 1.55 -9.22 -1.3 1
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39079 8139657 1 ON2F3C18H20 AB2C3D18E20 -138.31 6.89 0.0 0.0 1
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39080 8139659 1 ON2C19H23 AB2C19D23 35.64 1.89 0.0 0.0 0
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39081 8139660 1 ON2C19H22 AB2C19D22 18.33 4.78 -8.84 -0.4 1
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39082 8139661 1 N2O2C20H25 A2B2C20D25 -4.91 4.79 0.0 0.0 0
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39083 8139663 1 ClSN2O4H19C20 ABC2D4E19F20 -98.08 5.01 -8.99 -0.95 0
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39084 8139665 1 O3N4C23H30 A3B4C23D30 -10.55 9.13 -8.91 -1.02 0
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39085 8139668 1 ClNSO6C17H20 ABCD6E17F20 -206.7 4.95 -9.16 -0.32 1
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39086 8139671 1 ON2F3C18H20 AB2C3D18E20 -139.14 5.2 0.0 0.0 0
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39087 8139672 1 ON2F3C18H19 AB2C3D18E19 -160.33 5.24 -9.3 -0.71 1
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39088 8139673 1 ClN3O3C17H19 AB3C3D17E19 -9.79 14.4 0.0 0.0 0
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39089 8139674 1 ClN3O3C17H18 AB3C3D17E18 -2.96 4.56 -8.95 -1.72 1
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39090 8139675 1 ON2C17H27 AB2C17D27 -28.92 1.2 0.0 0.0 0
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39091 8139676 1 ON2C17H26 AB2C17D26 -47.69 5.54 -9.16 0.21 0
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39092 8139681 1 ON3C20H23 AB3C20D23 11.29 4.21 -8.28 0.14 0
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39093 8139682 1 ClNO4H18C19 ABC4D18E19 -98.85 6.8 -8.88 -0.48 1
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39094 8139683 1 BrN2O2C18H22 AB2C2D18E22 -13.98 2.96 0.0 0.0 0
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39095 8139684 1 BrN2O2C18H21 AB2C2D18E21 -31.41 2.29 -8.95 -0.4 0
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39096 8139688 1 Cl2O5H16C18 A2B5C16D18 -160.13 3.77 -9.06 -0.45 0
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39097 8139691 1 ClN2O4H17C19 AB2C4D17E19 -74.84 1.97 -9.15 -1.01 1
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39098 8139695 1 ION2C17H20 ABC2D17E20 36.82 13.62 0.0 0.0 0
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39099 8139696 1 ION2C17H19 ABC2D17E19 18.82 5.26 -9.22 -0.96 0
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39100 8139697 1 Cl2N2O4H12C17 A2B2C4D12E17 -49.32 5.26 -9.25 -1.13 0
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39101 8139699 1 N2O3C21H26 A2B3C21D26 -59.09 5.28 -8.32 -0.14 0
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39102 8139700 1 ClSN2O5H17C18 ABC2D5E17F18 -166.33 7.7 -8.92 -0.78 1
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39103 8139701 1 ON2C20H27 AB2C20D27 0.73 3.68 0.0 0.0 0
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39104 8139704 1 BrClON2C17H18 ABCD2E17F18 -3.13 5.78 -9.21 -0.67 0
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39105 8139705 1 ClNO4C13H16 ABC4D13E16 -159.99 3.76 -9.28 -0.27 1
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39106 8139706 1 SN3O4C21H28 AB3C4D21E28 -90.61 3.91 0.0 0.0 0
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39107 8139707 1 SN3O4C21H27 AB3C4D21E27 -109.12 4.03 -8.75 -1.02 0
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39108 8139708 1 ClN3O4C16H18 AB3C4D16E18 -114.0 4.08 -8.56 -0.5 1
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39109 8139709 1 SN3O3C22H30 AB3C3D22E30 -59.7 5.74 0.0 0.0 0
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39110 8139710 1 SN3O3C22H29 AB3C3D22E29 -87.66 4.02 -9.21 -0.6 1
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39111 8139711 1 SN3O3C23H26 AB3C3D23E26 -26.5 6.34 0.0 0.0 0
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39112 8139712 1 SN3O3C23H25 AB3C3D23E25 -46.75 8.84 -8.85 -1.0 1
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39113 8139713 1 ClOSN2C22H24 ABCD2E22F24 2.67 2.57 0.0 0.0 0
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39114 8139714 1 ClOSN2C22H23 ABCD2E22F23 15.54 4.47 -8.5 -1.17 1
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39115 8139715 1 N2O4C20H27 A2B4C20D27 -95.47 3.76 0.0 0.0 0
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39116 8139716 2 NO2C10H13 AB2C10D13 -111.44 5.2 -8.4 -0.33 0
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39117 8139717 1 SN2O5C18H22 AB2C5D18E22 -178.25 8.48 -8.62 -1.69 1
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39118 8139718 1 N3O3C18H22 A3B3C18D22 6.68 3.37 0.0 0.0 0
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39119 8139720 1 SN2O5C18H22 AB2C5D18E22 -178.92 3.91 -8.6 -1.55 0
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39120 8139722 1 SN2O5C18H22 AB2C5D18E22 -179.79 3.38 -8.64 -1.5 1
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39121 8139723 1 OCl2N2C18H21 AB2C2D18E21 -5.19 2.2 0.0 0.0 0
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39122 8139725 1 SN2O5C18H22 AB2C5D18E22 -189.16 2.51 -8.69 -1.58 1
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39123 8139726 1 FN2O2C20H24 AB2C2D20E24 -92.56 5.33 0.0 0.0 0
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39124 8139727 1 FN2O2C20H23 AB2C2D20E23 -92.47 6.1 -9.28 -0.28 1
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39125 8139728 1 N2O2C22H25 A2B2C22D25 -1.6 13.11 0.0 0.0 0
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39126 8139732 1 N2O3C19H24 A2B3C19D24 -70.93 5.17 -8.66 -0.27 1
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39127 8139735 1 ON2F3C19H22 AB2C3D19E22 -149.98 1.77 0.0 0.0 0
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39128 8139736 1 ON2F3C19H21 AB2C3D19E21 -169.96 3.09 -9.25 -0.52 0
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39129 8139739 1 SN2O2C19H24 AB2C2D19E24 -39.19 6.49 -8.45 -0.53 0
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39130 8139741 1 N2O3C20H26 A2B3C20D26 -80.91 5.96 -8.44 0.04 1
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39131 8139757 1 ClFON2C18H21 ABCD2E18F21 -41.35 1.86 0.0 0.0 0
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39132 8139758 1 ClFON2C18H20 ABCD2E18F20 -56.94 5.12 -9.11 -0.3 0
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39133 8139759 1 N2O5C21H30 A2B5C21D30 -195.76 2.4 -8.65 0.02 0
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39134 8139762 1 O3N5C17H23 A3B5C17D23 -78.8 4.48 -8.64 -0.55 1
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39135 8139763 1 N2O3C19H25 A2B3C19D25 -61.57 1.42 0.0 0.0 0
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39136 8139764 1 N2O3C19H24 A2B3C19D24 -81.07 5.97 -8.9 0.09 0
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39137 8139774 1 ClN2O2C18H21 AB2C2D18E21 -43.61 3.91 -9.01 -0.34 0
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39138 8139775 1 NO4C18H27 AB4C18D27 -186.39 2.91 -8.78 0.22 1
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39139 8139781 1 ON2C16H23 AB2C16D23 16.34 2.4 0.0 0.0 1
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39140 8139783 1 ClN2O2C19H24 AB2C2D19E24 -32.6 6.39 0.0 0.0 0
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39141 8139784 1 ClN2O2C19H23 AB2C2D19E23 -54.63 2.1 -8.64 -0.19 0
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39142 8139785 1 SN3O3C21H23 AB3C3D21E23 -67.09 2.62 -8.99 -0.82 0
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39143 8139786 1 SN3O3C21H23 AB3C3D21E23 -67.42 1.19 -8.78 -0.72 1
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39144 8139787 1 FON2C19H22 ABC2D19E22 -10.65 15.88 0.0 0.0 0
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39145 8139788 1 FON2C19H21 ABC2D19E21 -31.83 3.67 -8.85 -0.61 0
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39146 8139789 1 SN3O3C21H23 AB3C3D21E23 -77.59 2.42 -8.8 -0.74 1
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39147 8139790 1 ClON2C19H22 ABC2D19E22 24.32 3.51 0.0 0.0 1
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39148 8139797 1 ON4C18H21 AB4C18D21 57.23 4.71 0.0 0.0 0
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39149 8139798 1 ON4C18H20 AB4C18D20 40.33 3.58 -8.55 -0.7 0
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39150 8139800 1 SN2O3C24H24 AB2C3D24E24 -56.87 2.56 -8.85 -1.22 0
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39151 8139802 2 NOC10H12 ABC10D12 -24.66 6.84 -8.83 -0.39 1
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39152 8139806 1 ON2C25H29 AB2C25D29 38.64 1.8 0.0 0.0 0