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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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172980 75577690 1 FSO2N4C19H19 ABC2D4E19F19 -49.49 4.84 -8.9 -1.04 -2
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172981 75577958 1 NSO5C16H23 ABC5D16E23 -232.48 6.22 -9.11 -0.13 0
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172982 75577980 1 SO2N3C18H23 AB2C3D18E23 -37.67 4.22 -9.7 -1.44 0
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172983 75578146 1 O2N5C24H35 A2B5C24D35 -75.8 6.17 -9.02 -0.03 0
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172984 75578890 1 FSN3O4H20C27 ABC3D4E20F27 -27.03 5.8 -8.99 -1.64 0
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172985 75579129 1 S2N7F12C29H31 A2B7C12D29E31 -571.02 8.51 -8.85 -1.6 0
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172986 75579130 1 SN3F6C23H23 AB3C6D23E23 -273.54 8.74 -8.86 -1.1 0
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172987 75579332 2 NO2C10H11 AB2C10D11 -120.89 1.56 -9.51 -0.13 0
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172988 75579333 1 N2O5C21H24 A2B5C21D24 -159.67 6.32 -9.06 -0.44 0
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172989 75579371 2 BrNC8H9 ABC8D9 32.93 4.38 -7.76 -0.42 0
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172990 75579958 2 O7C20H21 A7B20C21 -536.91 5.95 -8.61 -1.01 0
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172991 75580187 1 ON2C19H28 AB2C19D28 -51.54 2.64 -7.88 0.34 0
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172992 75580385 1 N5C21H21 A5B21C21 121.77 3.96 -9.02 -1.16 0
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172993 75580386 1 FON5H18C20 ABC5D18E20 36.22 0.75 -9.2 -1.33 0
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172994 75580396 1 FN3O7C21H30 AB3C7D21E30 -328.81 2.7 -9.09 -0.56 0
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172995 75581012 1 NO3C18H21 AB3C18D21 -47.82 19.75 -6.34 -0.92 0
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172996 75581220 2 OPN2F6H14C16 ABC2D6E14F16 -793.38 13.1 -9.27 -2.39 0
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172997 75581750 1 NS2O14C52H55 AB2C14D52E55 -443.3 4.57 -8.97 -1.28 0
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172998 75581751 1 BrClON3C20H21 ABCD3E20F21 -6.81 3.6 -9.26 -0.52 0
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172999 75581752 1 BrClN3C20H23 ABC3D20E23 34.4 3.44 -8.83 -0.3 0
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173000 75582289 1 SO9C32H32 AB9C32D32 -253.87 6.72 -7.87 -0.8 0
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173001 75582394 3 OC3H6 AB3C6 -138.74 1.81 -10.07 1.27 0
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173002 75582450 1 SiN2O4C18H36 AB2C4D18E36 -250.22 2.86 -8.43 1.1 0
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173003 75582673 1 N3O9C23H27 A3B9C23D27 -148.19 5.34 -8.94 -0.82 0
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173004 75582697 1 ClO3N6H23C27 AB3C6D23E27 57.29 6.0 -9.2 -0.68 0
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173005 75582698 1 FO3N4H25C27 AB3C4D25E27 -40.71 7.22 -9.28 -0.44 0
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173006 75582699 1 NSO7C22H33 ABC7D22E33 -275.36 3.21 -8.22 -0.82 0
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173007 75582805 1 OF9H9C14 AB9C9D14 -450.67 4.22 -9.76 -1.13 1
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173008 75583441 1 SN3O6H20C23 AB3C6D20E23 -146.19 1.95 0.0 0.0 0
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173009 75583504 1 O2N5C23H27 A2B5C23D27 -7.15 7.96 -8.94 -0.36 0
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173010 75583686 1 SF2N3O3H21C23 AB2C3D3E21F23 -159.29 3.08 -9.14 -0.71 1
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173011 75583687 1 FSN4O4H16C19 ABC4D4E16F19 -97.87 8.19 0.0 0.0 4
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173013 75584822 1 ClNTc ABC 67.13 1.9 0.0 0.0 0
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173016 75585382 7 NOC4H7 ABC4D7 -346.58 1.95 -9.37 0.13 0
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173017 75585383 1 ON2C10H10 AB2C10D10 28.28 4.38 -9.15 -0.99 1
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173018 75585624 1 N2O2C19H27 A2B2C19D27 -25.51 5.82 0.0 0.0 0
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173019 75585764 1 BrNO4C20H26 ABC4D20E26 -160.84 6.03 -9.48 -0.36 0
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173020 75585765 1 N2O3C20H28 A2B3C20D28 -134.94 5.77 -8.1 -0.01 0
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173021 75585837 1 ClN4O4H9C12 AB4C4D9E12 24.62 6.03 -8.96 -2.37 0
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173022 75585941 1 ClON5C25H30 ABC5D25E30 38.46 4.88 -8.7 -0.51 0
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173023 75585942 1 ClON5C23H28 ABC5D23E28 20.32 4.87 -8.53 -0.52 0
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173024 75585943 1 ClON5C22H26 ABC5D22E26 20.31 5.65 -8.57 -0.52 0
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173025 75585944 2 N7O7C21H37 A7B7C21D37 -698.97 7.7 -9.57 -0.24 0
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173026 75585963 1 NS2O8C10H21 AB2C8D10E21 -362.65 6.76 -10.07 -0.41 0
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173027 75585964 1 N2S2O9C15H30 A2B2C9D15E30 -433.18 7.68 -9.94 -0.52 0
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173028 75585965 1 NS2O12C19H35 AB2C12D19E35 -572.16 4.4 -10.3 -0.27 0
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173029 75585966 1 Cl4O7N8C31H50 A4B7C8D31E50 -370.75 9.57 -8.8 -1.24 0
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173030 75585967 1 O7N8C31H46 A7B8C31D46 -280.15 6.69 -8.36 -0.26 0
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173031 75585968 2 Cl2O3N4C16H26 A2B3C4D16E26 -399.77 5.47 -8.94 -0.81 0
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173032 75586395 1 Cl3O6N7C27H40 A3B6C7D27E40 -332.79 2.47 -9.28 -0.65 0