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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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38053 8026655 1 SN3O4C20H21 AB3C4D20E21 -86.4 2.84 -8.84 -1.36 0
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38054 8026668 1 SN3O4H17C20 AB3C4D17E20 -46.76 12.26 -9.8 -1.35 0
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38055 8026676 1 NO4C23H29 AB4C23D29 -146.42 5.69 -8.7 0.03 1
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38056 8026677 1 O3N5C23H28 A3B5C23D28 -56.81 10.39 0.0 0.0 0
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38057 8026678 1 O3N5C23H27 A3B5C23D27 -74.55 8.97 -9.19 -0.57 0
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38058 8026714 1 Br2N2O2C15H16 A2B2C2D15E16 -61.13 2.14 -9.36 -0.57 0
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38059 8026716 1 ClN2O5C20H21 AB2C5D20E21 -154.72 6.46 -9.21 -1.42 0
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38060 8026718 2 NO2C11H12 AB2C11D12 -102.95 8.97 -8.87 -1.3 0
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38061 8026722 1 NO5H17C20 AB5C17D20 -130.39 1.22 -8.97 -1.01 0
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38062 8026728 1 OSN6C11H12 ABC6D11E12 78.14 7.04 -9.02 -1.06 0
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38063 8026731 1 NSO3C21H23 ABC3D21E23 -91.75 4.48 -8.54 -0.14 0
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38064 8026732 1 NSO3C21H23 ABC3D21E23 -92.31 5.8 -8.5 -0.12 0
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38065 8026736 1 S2O3N4C19H26 A2B3C4D19E26 -101.51 8.74 -8.78 -0.86 0
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38066 8026737 1 S2O3N4C19H26 A2B3C4D19E26 -101.92 8.63 -9.07 -1.14 0
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38067 8026745 1 ClFON2H14C19 ABCD2E14F19 -6.27 2.11 -9.24 -1.2 0
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38068 8026749 1 BrO2N3H12C16 AB2C3D12E16 -6.96 2.95 -9.24 -1.45 1
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38069 8026753 1 SF2N2O3C17H21 AB2C2D3E17F21 -160.97 6.7 0.0 0.0 0
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38070 8026765 1 NSO3C18H21 ABC3D18E21 -80.24 1.97 -8.82 -0.17 0
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38071 8026766 1 SN3O5C19H19 AB3C5D19E19 -168.93 6.05 -9.23 -0.74 0
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38072 8026775 1 SN4O4C19H20 AB4C4D19E20 -117.19 9.25 -9.45 -0.74 1
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38073 8026794 1 BrFN2C13H17 ABC2D13E17 5.87 5.21 0.0 0.0 1
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38074 8026808 1 SO3N4C19H23 AB3C4D19E23 -30.11 7.33 0.0 0.0 0
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38075 8026817 1 SO2N4H18C21 AB2C4D18E21 72.57 5.58 -8.46 -0.99 0
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38076 8026822 1 OS2N6H18C19 AB2C6D18E19 75.95 4.09 -8.52 -1.14 0
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38077 8026824 1 SO2N3H17C18 AB2C3D17E18 -6.61 6.98 -9.16 -0.75 0
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38078 8026825 1 SO2N3H17C18 AB2C3D17E18 -11.87 3.44 -9.26 -0.84 0
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38079 8026827 1 O2N3C14H17 A2B3C14D17 -58.44 2.54 -9.33 -0.91 0
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38080 8026839 1 OF3N5H18C21 AB3C5D18E21 -89.56 5.64 -9.28 -0.47 0
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38081 8026841 1 OS2N5H13C16 AB2C5D13E16 75.18 6.21 -8.91 -1.29 0
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38082 8026856 1 FN4O4H11C15 AB4C4D11E15 -143.71 9.2 -9.16 -1.31 0
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38083 8026871 1 O3N4H20C22 A3B4C20D22 -58.48 4.18 -9.27 -1.42 0
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38084 8026891 1 N4O5C19H22 A4B5C19D22 -180.61 2.17 -9.82 -1.52 0
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38085 8026893 1 N4O6H16C19 A4B6C16D19 -96.66 5.56 -9.71 -1.49 0
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38086 8026894 1 ClFN3O4H11C17 ABC3D4E11F17 -133.81 2.96 -9.37 -1.48 0
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38087 8026915 1 OSN3H13C14 ABC3D13E14 27.85 2.66 -8.77 -0.42 0
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38088 8026919 1 N3S3H11C15 A3B3C11D15 118.2 2.65 -8.62 -1.25 0
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38089 8026938 1 ClSN4O4C15H17 ABC4D4E15F17 -104.69 4.51 -9.33 -1.58 0
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38090 8026940 1 ClN2O3H13C17 AB2C3D13E17 -39.96 5.39 -9.55 -1.05 0
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38091 8026946 1 SN3O3C18H23 AB3C3D18E23 -94.0 6.27 -8.85 -0.51 0
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38092 8026948 1 OS2N4C14H14 AB2C4D14E14 42.76 5.65 -8.48 -0.68 0
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38093 8026954 1 F2O2N4C21H22 A2B2C4D21E22 -117.41 5.56 -9.42 -0.84 0
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38094 8026958 1 NO7C22H25 AB7C22D25 -225.26 9.77 -8.65 -0.82 1
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38095 8026959 1 ClON3H19C21 ABC3D19E21 44.61 8.22 0.0 0.0 1
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38096 8026961 1 ClON3H19C21 ABC3D19E21 45.75 5.92 0.0 0.0 0
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38097 8026968 1 ClO3N4C20H21 AB3C4D20E21 -69.08 7.17 -9.01 -1.04 0
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38098 8027001 1 N3O4C15H19 A3B4C15D19 -111.96 0.83 -9.29 -0.78 0
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38099 8027016 1 SO3N5C16H17 AB3C5D16E17 -82.71 11.27 -8.34 -1.1 0
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38100 8027022 1 SO2N4C18H28 AB2C4D18E28 -57.06 8.19 -9.06 -0.4 0
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38101 8027024 1 O3N4C21H24 A3B4C21D24 -67.41 10.01 -8.82 -0.3 0
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38102 8027028 2 ON2H8C11 AB2C8D11 62.23 3.86 -9.14 -1.18 1
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38103 8027030 1 ClON3C18H19 ABC3D18E19 30.71 7.98 0.0 0.0 0
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38104 8027033 1 ClON3C18H18 ABC3D18E18 13.95 7.97 -9.04 -0.47 0
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38105 8027044 1 SO2N3H17C18 AB2C3D17E18 -30.49 6.88 -9.08 -0.73 0
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38106 8027045 1 SN3O3C22H25 AB3C3D22E25 -77.69 8.27 -9.1 -0.77 0
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38107 8027048 1 SN3O3C18H19 AB3C3D18E19 -59.32 3.93 -9.15 -0.67 0
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38108 8027056 1 FN3O4H20C22 AB3C4D20E22 -122.47 4.98 -9.19 -1.09 0
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38109 8027102 1 N2O3H16C17 A2B3C16D17 -11.72 3.53 -8.91 -0.42 0
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38110 8027125 1 ON2C10H18 AB2C10D18 -24.7 1.35 -8.74 0.97 0
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38111 8027126 1 OSN4C8H8 ABC4D8E8 20.78 5.14 -8.49 -1.25 0
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38112 8027134 2 ON2H3C4 AB2C3D4 15.49 6.18 -10.63 -1.86 0
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38113 8027135 1 SO2N4C8H10 AB2C4D8E10 -11.82 5.27 -9.71 -0.55 1
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38114 8027142 1 BrO2N6C9H12 AB2C6D9E12 49.45 9.27 0.0 0.0 0
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38115 8027147 1 BrNO3H8C11 ABC3D8E11 -66.99 5.53 -9.45 -1.14 0
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38116 8027149 1 N2O2C9H16 A2B2C9D16 -69.02 5.66 -9.26 0.73 1
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38117 8027150 1 SO2N4C9H11 AB2C4D9E11 29.23 7.8 0.0 0.0 -1
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38118 8027154 1 N5C8H8 A5B8C8 145.24 4.7 0.0 0.0 0
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38119 8027161 1 NO5C17H21 AB5C17D21 -159.42 1.95 -8.66 -0.32 0
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38120 8027162 1 NO5C17H21 AB5C17D21 -157.87 3.56 -8.62 -0.23 0
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38121 8027172 1 ClO2C10H11 AB2C10D11 -85.24 1.94 -9.49 -0.22 0
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38122 8027192 1 O3N5C12H13 A3B5C12D13 30.73 3.73 -8.32 -0.93 0
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38123 8027193 1 N5C8H9 A5B8C9 74.81 3.65 -8.81 -0.38 0
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38124 8027203 1 NO3C8H9 AB3C8D9 -110.67 2.9 -9.52 -1.24 0
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38125 8027204 1 OSCl2C8H8 ABC2D8E8 -43.62 2.88 -9.67 -1.41 -1
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38126 8027210 1 NO6C16H20 AB6C16D20 -170.8 3.2 0.0 0.0 -1
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38127 8027216 1 NO6C16H20 AB6C16D20 -174.46 12.32 0.0 0.0 0
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38128 8027268 1 NO5C16H21 AB5C16D21 -193.98 6.68 -8.67 -0.18 -1
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38129 8027275 1 NO5C16H20 AB5C16D20 -145.24 4.59 0.0 0.0 -1
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38130 8027279 1 NO5C14H14 AB5C14D14 -121.37 3.49 0.0 0.0 1
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38131 8027307 3 NOC4H6 ABC4D6 -73.76 5.6 0.0 0.0 1
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38132 8027347 1 N2C12H19 A2B12C19 39.63 1.51 0.0 0.0 0
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38133 8027354 1 ON2C12H18 AB2C12D18 -19.85 2.08 -7.78 0.54 0
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38134 8027366 1 FN2C11H15 AB2C11D15 -29.73 3.81 -8.39 0.05 0
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38135 8027368 1 FN2C11H15 AB2C11D15 -30.35 5.17 -8.24 0.19 1
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38136 8027371 1 Cl2N2C11H15 A2B2C11D15 13.81 4.88 0.0 0.0 0
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38137 8027372 1 Cl2N2C11H14 A2B2C11D14 -3.22 4.47 -8.42 -0.1 1
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38138 8027383 1 N2C13H21 A2B13C21 23.26 3.13 0.0 0.0 2
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38139 8027393 2 NC6H10 AB6C10 19.96 3.59 -9.15 0.17 0
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38140 8027396 2 NC6H9 AB6C9 18.34 0.94 -8.98 0.36 1
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38141 8027397 1 ClNOC12H17 ABCD12E17 -18.46 9.18 0.0 0.0 -1
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38142 8027401 1 NO2H10C14 AB2C10D14 8.69 12.86 0.0 0.0 1
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38143 8027403 1 NC8H18 AB8C18 3.63 1.63 0.0 0.0 0
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38144 8027406 1 NC8H17 AB8C17 -28.72 2.14 -9.06 3.1 0
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38145 8027407 1 FN2O2H19C20 AB2C2D19E20 -61.66 3.07 -8.81 -0.98 0
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38146 8027410 1 FN2O2C11H11 AB2C2D11E11 -110.58 6.12 -9.28 -0.51 0
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38147 8027414 1 BrN2O2C11H11 AB2C2D11E11 -63.53 2.52 -9.16 -0.57 0
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38148 8027416 2 NOC6H7 ABC6D7 -75.04 2.06 -8.8 -0.12 0
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38149 8027418 1 N2O3C13H16 A2B3C13D16 -111.91 2.58 -8.46 -0.08 0
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38150 8027419 1 N2O3C12H14 A2B3C12D14 -107.74 2.14 -8.86 -0.23 0
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38151 8027428 1 ClN2O2C12H13 AB2C2D12E13 -83.42 3.3 -9.11 -0.45 0
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38152 8027437 1 BrNO2H12C13 ABC2D12E13 -34.7 2.03 -9.27 -0.95 0