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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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79703 49830033 1 N2O5H22C23 A2B5C22D23 -148.86 5.78 -8.81 -0.8 0
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79704 49830037 1 FSN4O4C19H19 ABC4D4E19F19 -118.51 4.41 -8.97 -0.82 0
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79705 49830040 1 ClSN2O2H21C22 ABC2D2E21F22 -32.08 6.28 -8.5 -1.47 2
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79706 49830044 1 ClON3C23H40 ABC3D23E40 -40.94 6.35 -7.01 0.44 -1
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79707 49830051 1 SN3O6H16C19 AB3C6D16E19 -128.53 12.32 0.0 0.0 1
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79708 49830061 1 FN2O4H22C23 AB2C4D22E23 -113.72 6.64 0.0 0.0 0
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79709 49830068 1 N2O5H22C24 A2B5C22D24 -118.71 7.61 -9.13 -1.58 1
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79710 49830073 1 O3N5C23H30 A3B5C23D30 -90.24 4.11 0.0 0.0 0
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79711 49830080 1 SN3O3C21H33 AB3C3D21E33 -137.73 8.3 -8.96 -0.35 0
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79712 49830082 1 Cl2N2O3H16C21 A2B2C3D16E21 -56.86 4.54 -9.33 -1.47 1
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79713 49830086 1 ClN3O4C21H27 AB3C4D21E27 -157.84 3.31 0.0 0.0 0
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79714 49830094 1 NO4C25H27 AB4C25D27 -117.53 4.48 -8.83 -0.59 2
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79715 49830095 1 FO2N3C23H36 AB2C3D23E36 -90.49 18.8 -5.83 0.45 1
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79716 49830110 1 FSO3N4C20H20 ABC3D4E20F20 -3.89 8.82 0.0 0.0 0
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79717 49830119 1 O2S3N5H15C17 A2B3C5D15E17 52.04 5.7 -8.54 -1.28 0
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79718 49830120 1 SO2F3N5C17H20 AB2C3D5E17F20 -126.59 6.75 -9.64 -0.99 1
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79719 49830121 1 FO2N4H20C23 AB2C4D20E23 25.77 2.97 0.0 0.0 0
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79720 49830126 1 ClN3O4H18C22 AB3C4D18E22 -84.4 11.02 -9.42 -1.52 1
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79721 49830127 1 SO2N5C20H26 AB2C5D20E26 -11.51 4.12 0.0 0.0 1
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79722 49830136 1 FO2N5C22H25 AB2C5D22E25 -22.2 0.78 0.0 0.0 0
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79723 49830142 1 BrN2O2F3C16H16 AB2C2D3E16F16 -199.68 6.27 -9.84 -0.82 2
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79724 49830155 1 ClON4C23H37 ABC4D23E37 4.42 14.11 -7.39 -0.05 1
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79725 49830159 1 O3N4C22H35 A3B4C22D35 -111.83 4.05 0.0 0.0 0
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79726 49830165 1 S2N3O4C18H21 A2B3C4D18E21 -106.77 11.53 -8.98 -0.85 0
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79727 49830166 1 N3O3S3C17H21 A3B3C3D17E21 -83.37 4.03 -8.57 -1.52 0
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79728 49830169 1 N3O4H21C23 A3B4C21D23 -74.76 8.76 -8.48 -1.74 0
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79729 49830173 1 ClSN2O3H15C21 ABC2D3E15F21 -35.98 4.82 -8.96 -1.55 1
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79730 49830177 1 ClFO2N3H20C23 ABC2D3E20F23 -9.62 4.26 0.0 0.0 0
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79731 49830178 1 SO2N3C24H27 AB2C3D24E27 -50.58 4.64 -8.94 -0.56 -1
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79732 49830180 1 ClSN3O3H17C20 ABC3D3E17F20 -5.43 3.34 0.0 0.0 0
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79733 49830181 1 ClSN3O3H18C20 ABC3D3E18F20 -50.86 4.94 -9.02 -1.39 0
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79734 49830183 1 N2O5C23H26 A2B5C23D26 -178.1 3.13 -8.77 -0.35 1
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79735 49830186 1 NO2C28H34 AB2C28D34 -2.14 1.94 0.0 0.0 0
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79736 49830188 1 N4O5H20C21 A4B5C20D21 -118.19 10.03 -8.63 -1.23 0
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79737 49830198 1 NOC17H23 ABC17D23 -22.99 3.01 -8.57 0.31 0
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79738 49830199 1 O2N3C29H33 A2B3C29D33 -15.85 5.95 -8.05 -0.12 0
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79739 49830202 1 NO2C22H23 AB2C22D23 -24.98 2.44 -8.9 -0.21 0
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79740 49830217 1 OF3N5C18H20 AB3C5D18E20 -142.82 6.43 -9.12 -0.59 0
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79741 49830219 2 ON4C14H18 AB4C14D18 -13.36 8.39 -8.67 -0.58 0
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79742 49830220 1 O2S2N3C21H29 A2B2C3D21E29 -61.16 9.71 -8.43 -0.23 0
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79743 49830221 1 S2N3O4C27H39 A2B3C4D27E39 -175.48 4.32 -8.26 -0.06 0
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79744 49830230 1 NO4C19H19 AB4C19D19 -100.06 3.82 -8.27 -0.65 0
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79745 49830237 1 BrN3O3C27H30 AB3C3D27E30 -67.88 9.53 -8.68 -0.54 0
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79746 49830239 1 FN3O4C24H24 AB3C4D24E24 -133.38 10.78 -8.0 -0.73 0
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79747 49830241 1 BrN3O3H22C23 AB3C3D22E23 -45.57 4.38 -8.85 -0.6 0
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79748 49830242 1 BrN3O3C24H24 AB3C3D24E24 -52.98 6.02 -8.59 -0.55 0
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79749 49830250 1 ClN3O4C24H24 AB3C4D24E24 -96.64 4.07 -8.36 -0.47 0
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79750 49830253 1 O3N4H24C25 A3B4C24D25 -2.14 4.18 -8.28 -0.76 0
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79751 49830255 1 ON4C23H28 AB4C23D28 21.52 4.14 -8.02 -0.51 0
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79752 49830257 1 OSN4H20C21 ABC4D20E21 72.9 3.44 -8.02 -0.37 0
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79753 49830260 1 ON4C23H24 AB4C23D24 38.6 3.67 -8.29 -0.02 0
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79754 49830262 2 ON2C12H14 AB2C12D14 -9.97 3.04 -8.09 -0.48 0
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79755 49830264 1 ON4H24C29 AB4C24D29 103.1 3.51 -8.09 -0.65 0
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79756 49830267 2 ON2H13C15 AB2C13D15 59.22 4.45 -8.23 -0.62 0
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79757 49830272 1 ClON5C17H18 ABC5D17E18 16.92 1.93 -9.11 -0.88 0
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79758 49830274 1 ClON3H10C14 ABC3D10E14 23.12 5.46 -9.08 -0.83 0
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79759 49830275 1 ClN4H15C19 AB4C15D19 97.6 2.98 -8.84 -0.69 0
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79760 49830276 1 OF2N3H13C20 AB2C3D13E20 -28.33 2.7 -8.52 -1.04 0
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79761 49830277 1 ON3H15C20 AB3C15D20 55.44 4.39 -8.77 -0.64 0
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79762 49830281 1 N6C17H20 A6B17C20 74.7 2.19 -8.84 -0.68 0
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79763 49830283 1 O2N4C21H22 A2B4C21D22 -4.3 1.97 -8.85 -0.55 0
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79764 49830285 1 ClN5H8C11 AB5C8D11 83.58 2.48 -9.12 -0.87 0
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79765 49830288 1 O2N3H17C21 A2B3C17D21 19.84 3.37 -8.29 -0.53 0
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79766 49830291 1 ON4C17H18 AB4C17D18 28.84 3.18 -8.66 -0.54 0
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79767 49830292 1 BrN2H9C13 AB2C9D13 77.11 2.76 -8.89 -0.7 0
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79768 49830298 1 ClN5C14H14 AB5C14D14 71.04 3.22 -8.82 -0.61 0
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79769 49830301 1 ClSO2N6C18H21 ABC2D6E18F21 -17.27 4.4 -9.1 -0.9 0
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79770 49830302 1 ClSO2N6C18H21 ABC2D6E18F21 -18.81 4.49 -9.07 -0.85 0
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79771 49830305 1 ClN6C21H27 AB6C21D27 51.9 4.43 -8.85 -0.74 0
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79772 49830307 1 ClON6C19H21 ABC6D19E21 12.15 3.32 -9.09 -0.93 0
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79773 49830310 1 FON4H17C20 ABC4D17E20 18.03 5.43 -8.78 -0.59 0
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79774 49830312 1 ClON7C21H26 ABC7D21E26 19.87 2.65 -9.03 -0.82 0
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79775 49830313 1 ClN4H17C20 AB4C17D20 101.07 2.83 -8.72 -0.79 0
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79776 49830314 1 F3N5H14C19 A3B5C14D19 -42.63 3.61 -8.84 -0.84 0
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79777 49830324 1 ClON4C16H17 ABC4D16E17 7.35 3.12 -8.73 -0.59 0