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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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165041 74488362 1 O3N4C23H37 A3B4C23D37 -102.86 5.26 0.0 0.0 1
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165042 74488578 1 O2N5C28H34 A2B5C28D34 52.82 6.59 0.0 0.0 1
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165043 74488614 1 SO2N4C25H31 AB2C4D25E31 -9.06 6.01 0.0 0.0 1
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165044 74488620 1 N3O3C23H36 A3B3C23D36 -106.47 3.4 0.0 0.0 0
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165045 74488928 1 ClO4N5C24H28 AB4C5D24E28 -136.96 2.2 -9.72 -0.8 -1
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165046 74489113 1 O3C20H31 A3B20C31 -121.48 6.71 0.0 0.0 0
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165047 74489114 1 NO3C6H9 AB3C6D9 -129.67 6.42 -10.48 0.2 0
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165048 74489344 1 O3N4C19H36 A3B4C19D36 -187.29 6.31 -9.64 0.14 0
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165049 74489345 1 N5O5C23H33 A5B5C23D33 -202.79 3.46 -8.85 -0.43 0
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165050 74489396 1 O3N4C24H40 A3B4C24D40 -187.38 7.14 -9.7 0.1 0
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165051 74489397 1 O5N6C24H36 A5B6C24D36 -141.53 11.74 -9.08 -0.99 0
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165052 74489462 1 N4O4C23H36 A4B4C23D36 -188.31 5.29 -9.09 -0.2 0
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165053 74489463 1 N4O4C27H36 A4B4C27D36 -145.74 2.2 -9.15 -0.45 0
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165054 74489692 1 N4O5C23H36 A4B5C23D36 -218.64 4.11 -8.63 -0.19 0
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165055 74491313 2 N2O2C12H19 A2B2C12D19 -188.05 4.16 -8.72 -0.49 1
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165056 74491501 1 ClO2N3C28H33 AB2C3D28E33 -27.42 3.35 0.0 0.0 1
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165057 74491502 1 O3N4C24H31 A3B4C24D31 -73.45 3.36 0.0 0.0 1
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165058 74491503 1 SN3O3C16H22 AB3C3D16E22 -81.02 14.24 0.0 0.0 1
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165059 74491504 1 SN3O4C21H28 AB3C4D21E28 -105.33 7.96 0.0 0.0 0
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165060 74491505 1 F2O2S3N4H18C21 A2B2C3D4E18F21 -70.44 8.95 -8.71 -1.87 0
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165061 74491506 1 SF2N3O3H15C21 AB2C3D3E15F21 -63.11 2.95 -8.98 -1.01 0
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165062 74491869 1 BrSO3N4C17H25 ABC3D4E17F25 -106.92 6.66 -9.68 -1.29 1
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165063 74492344 1 N3O4C23H36 A3B4C23D36 -143.16 4.53 0.0 0.0 1
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165064 74492420 1 ClOSN4C21H28 ABCD4E21F28 21.27 8.12 0.0 0.0 0
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165065 74492674 1 N3O4C23H31 A3B4C23D31 -118.89 2.62 -9.03 0.02 1
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165066 74492690 1 O3N4C27H35 A3B4C27D35 -26.8 5.72 0.0 0.0 1
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165067 74492691 1 O3N4C25H37 A3B4C25D37 -78.0 3.34 0.0 0.0 1
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165068 74493106 1 N4O4C20H31 A4B4C20D31 -122.84 1.64 0.0 0.0 1
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165069 74493837 1 FSO2N3C21H25 ABC2D3E21F25 -76.55 2.62 0.0 0.0 1
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165070 74494323 1 FN3O3C29H29 AB3C3D29E29 -58.62 4.66 0.0 0.0 1
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165071 74494538 1 SO2N3C22H28 AB2C3D22E28 -19.07 14.21 0.0 0.0 -1
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165072 74494825 1 ClBr2N3O5H9C15 AB2C3D5E9F15 -12.57 5.22 0.0 0.0 1
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165073 74494826 1 N3O5C19H24 A3B5C19D24 -80.35 4.82 0.0 0.0 1
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165074 74494827 1 SN3O3C20H26 AB3C3D20E26 -72.36 2.62 0.0 0.0 2
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165075 74496096 1 SN4C22H36 AB4C22D36 39.06 8.55 -8.34 -0.7 1
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165076 74496185 1 O2N4C26H39 A2B4C26D39 -33.07 4.03 0.0 0.0 0
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165077 74496356 1 FN2O4C21H29 AB2C4D21E29 -225.73 2.19 -9.25 -0.08 1
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165078 74496536 1 ClNSO2C19H27 ABCD2E19F27 -74.71 5.56 0.0 0.0 1
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165079 74496537 1 N3O5C20H30 A3B5C20D30 -103.39 9.6 0.0 0.0 0
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165080 74496538 1 SO2N5C26H35 AB2C5D26E35 -49.83 5.89 -8.47 -0.71 0
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165081 74497572 2 ON2C13H15 AB2C13D15 -26.58 4.53 -9.15 -0.8 1
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165082 74498582 1 N3O4C28H44 A3B4C28D44 -150.42 13.14 0.0 0.0 1
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165083 74498601 1 N2O2C27H31 A2B2C27D31 -22.05 9.88 0.0 0.0 1
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165084 74498661 1 NO3C23H30 AB3C23D30 -58.34 3.79 0.0 0.0 0
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165085 74498747 1 FO2N5C20H24 AB2C5D20E24 -62.56 7.24 -9.68 -1.14 1
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165086 74499030 1 ClN3O5C25H37 AB3C5D25E37 -183.97 7.16 0.0 0.0 0
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165087 74499031 1 O2N4C17H24 A2B4C17D24 -36.89 6.53 -8.69 0.21 0
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165088 74499032 1 N3O3C29H33 A3B3C29D33 -45.99 2.39 -8.32 -0.25 1
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165089 74499330 1 NSO3C23H32 ABC3D23E32 -75.76 5.42 0.0 0.0 1
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165090 74499331 1 O2N5C27H32 A2B5C27D32 17.05 6.64 0.0 0.0 1