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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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175088 75853967 2 ON2C10H10 AB2C10D10 -16.29 9.45 -8.56 -0.55 0
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175089 75854462 2 NO2C11H13 AB2C11D13 -78.26 3.53 -8.29 -0.44 0
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175090 75854529 1 SN5O5C21H27 AB5C5D21E27 -84.06 8.9 -9.09 -1.29 1
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175091 75854729 1 ON3C18H32 AB3C18D32 -28.7 3.56 0.0 0.0 1
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175092 75854975 1 ON3C23H26 AB3C23D26 63.28 4.54 0.0 0.0 0
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175093 75855044 1 ClON4C13H17 ABC4D13E17 14.94 4.0 -9.68 -1.08 0
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175094 75855105 1 NSO6H19C21 ABC6D19E21 -126.24 3.88 -9.34 -1.75 0
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175095 75855757 1 O2N3S3C18H19 A2B3C3D18E19 -7.52 4.39 -8.86 -1.02 0
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175096 75855758 1 O2S2N5C18H21 A2B2C5D18E21 32.99 6.33 -8.87 -0.74 0
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175097 75855759 1 FOS2N4C18H19 ABC2D4E18F19 -0.47 7.36 -8.95 -0.83 0
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175098 75855760 1 ClOS2N4C18H19 ABC2D4E18F19 35.76 4.18 -8.99 -0.9 0
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175099 75855761 1 O2S2N3C20H21 A2B2C3D20E21 -11.79 4.03 -8.98 -0.77 0
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175100 75855762 1 O2N3S3C23H27 A2B3C3D23E27 -32.72 2.23 -8.64 -1.03 0
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175101 75855858 1 N3O5H17C18 A3B5C17D18 -117.63 3.31 -9.4 -1.42 0
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175102 75855859 1 OS3N4C14H18 AB3C4D14E18 46.82 4.1 -8.78 -1.13 1
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175103 75855860 1 SO3N4H19C20 AB3C4D19E20 -28.7 1.6 0.0 0.0 0
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175104 75855861 1 SO3N4H18C20 AB3C4D18E20 -26.36 9.09 -8.41 -1.07 0
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175105 75856172 1 O2S2N5H19C23 A2B2C5D19E23 108.89 9.73 -9.09 -1.46 0
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175106 75856326 1 N3O4C26H31 A3B4C26D31 -127.32 6.73 -9.08 -0.16 0
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175107 75856385 1 ON6C17H22 AB6C17D22 69.22 8.02 -9.11 -1.0 0
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175108 75856386 1 SN4O5H16C22 AB4C5D16E22 -22.49 8.14 -9.33 -1.42 0
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175109 75856387 1 N2O5H14C20 A2B5C14D20 -70.16 8.39 -9.63 -1.44 0
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175110 75856388 1 N3O6H21C23 A3B6C21D23 -133.85 7.95 -8.72 -1.35 1
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175111 75856952 1 SO2N5C17H20 AB2C5D17E20 -0.68 3.8 0.0 0.0 1
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175112 75856953 1 O2N3C20H28 A2B3C20D28 -29.95 2.07 0.0 0.0 0
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175113 75856954 1 O2N3C20H27 A2B3C20D27 -55.41 2.09 -8.73 -0.26 0
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175114 75857009 1 ClFO2N5C21H25 ABC2D5E21F25 -86.94 8.24 -8.52 -0.19 0
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175115 75857282 1 SF3N4O4H13C14 AB3C4D4E13F14 -200.74 3.6 -9.78 -3.32 0
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175116 75857550 1 FNO2C18H20 ABC2D18E20 -91.54 2.9 -8.35 -0.21 0
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175117 75857551 1 FNO2C18H20 ABC2D18E20 -91.55 0.21 -8.22 -0.35 0
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175118 75858570 1 SN4O4C15H18 AB4C4D15E18 -0.37 4.91 -9.09 -1.48 1
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175119 75858752 1 N3O4C15H20 A3B4C15D20 -80.6 8.54 0.0 0.0 1
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175120 75858855 1 ClNOC13H19 ABCD13E19 -18.3 6.29 0.0 0.0 0
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175121 75858856 1 ClNOC13H18 ABCD13E18 -38.18 1.62 -8.59 -0.03 1
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175122 75858857 1 SN3O3C22H32 AB3C3D22E32 -69.33 3.22 0.0 0.0 1
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175123 75859062 1 O3N5C20H30 A3B5C20D30 -69.78 4.91 0.0 0.0 0
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175124 75859063 1 N2S2O3C21H32 A2B2C3D21E32 -134.83 8.58 -8.94 -0.44 1
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175125 75859064 1 N2O5C24H29 A2B5C24D29 -136.62 4.12 0.0 0.0 0
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175126 75859065 1 N2O5C24H28 A2B5C24D28 -153.64 4.44 -7.98 -0.13 1
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175127 75859066 1 ClSN3O3C18H23 ABC3D3E18F23 -53.13 3.14 0.0 0.0 1
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175128 75859067 1 ClSO2N5C17H25 ABC2D5E17F25 -26.16 1.84 0.0 0.0 0
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175129 75859068 1 O3N4C27H28 A3B4C27D28 -52.61 4.74 -8.88 -0.84 1
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175130 75859069 3 ON2C8H9 AB2C8D9 -44.53 5.74 0.0 0.0 1
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175131 75859070 1 N3O3C19H24 A3B3C19D24 -51.34 2.29 0.0 0.0 1
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175132 75859071 1 N2O4C23H31 A2B4C23D31 -101.5 4.95 0.0 0.0 1
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175133 75859270 1 OSN3C21H32 ABC3D21E32 -26.76 11.04 0.0 0.0 0
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175134 75859271 1 OSN3C21H31 ABC3D21E31 -35.82 4.06 -8.54 -0.06 0
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175135 75859272 1 O3N5C26H43 A3B5C26D43 -159.83 6.48 -9.16 0.04 0
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175136 75859463 1 O2F3N4C24H27 A2B3C4D24E27 -205.77 4.88 -8.6 -0.61 1
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175137 75859623 1 N4O4C23H27 A4B4C23D27 -50.28 4.99 0.0 0.0 1