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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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192987 78332566 1 SO2F3N5C26H28 AB2C3D5E26F28 -176.7 4.57 -8.92 -0.98 0
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192988 78332727 1 ClN2O5H23C24 AB2C5D23E24 -122.59 1.4 -8.39 -1.14 0
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192989 78332728 1 O3N5C19H27 A3B5C19D27 -92.03 2.09 -8.92 0.16 0
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192990 78333321 1 O3N5C22H31 A3B5C22D31 -73.92 2.55 -8.79 0.05 1
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192991 78333750 1 FO3N6C22H22 AB3C6D22E22 -30.88 5.56 0.0 0.0 0
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192992 78334185 1 ClN2O4C19H21 AB2C4D19E21 -130.19 2.72 -9.68 -1.04 0
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192993 78335411 1 FO2N6C18H25 AB2C6D18E25 -79.33 5.67 -9.3 -0.13 0
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192994 78335568 1 BrNO5C25H26 ABC5D25E26 -138.21 1.52 -8.87 -1.09 0
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192995 78335680 1 SN3O4H15C20 AB3C4D15E20 34.44 7.88 -9.11 -1.85 0
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192996 78335681 1 FN2O4H27C29 AB2C4D27E29 -105.05 7.49 -7.8 -1.52 0
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192997 78335718 1 O3N4C29H30 A3B4C29D30 -11.36 4.4 -8.26 -1.21 0
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192998 78335719 1 N3O3C29H29 A3B3C29D29 34.03 2.43 -8.35 -1.36 0
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192999 78335744 1 O4N6C15H22 A4B6C15D22 -145.65 2.08 -9.5 0.22 0
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193000 78335853 1 O2N7C27H41 A2B7C27D41 -20.84 10.64 -8.92 -0.29 0
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193001 78336122 1 SN4O9C18H20 AB4C9D18E20 -279.25 7.84 -8.96 -1.84 0
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193002 78336278 1 N2O5C23H30 A2B5C23D30 -157.43 3.3 -8.62 -0.83 0
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193003 78336555 1 O4N5H23C25 A4B5C23D25 -19.5 4.01 -8.23 -1.53 0
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193004 78336925 1 BrN2O4C19H25 AB2C4D19E25 -170.63 4.13 -9.12 -0.24 0
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193005 78336991 1 N5O5H13C17 A5B5C13D17 9.76 4.29 -8.86 -2.12 0
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193006 78337051 1 N3O5H17C18 A3B5C17D18 -159.97 5.9 -8.87 -1.16 0
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193007 78337052 1 OS2F3N5H12C13 AB2C3D5E12F13 -91.13 9.61 -9.36 -1.79 0
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193008 78337134 1 N4O5H22C25 A4B5C22D25 -57.9 5.75 -8.64 -1.8 0
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193009 78337135 1 ClN4O7H11C17 AB4C7D11E17 -87.5 9.34 -9.82 -2.0 -1
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193010 78337136 1 O2N3C12H12 A2B3C12D12 -0.31 5.93 0.0 0.0 1
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193011 78337137 1 OSN5C17H22 ABC5D17E22 55.98 2.8 0.0 0.0 0
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193012 78337138 1 OSN5C17H21 ABC5D17E21 62.2 2.73 -8.78 -0.15 0
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193013 78337139 1 O2S3N4H22C24 A2B3C4D22E24 25.17 2.81 -8.77 -0.86 0
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193014 78337140 4 NOC6H6 ABC6D6 -20.94 19.63 -8.26 -1.45 0
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193015 78337141 4 NOC6H6 ABC6D6 -39.87 4.74 -8.99 -1.39 0
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193016 78337460 1 ON4C19H28 AB4C19D28 1.02 4.39 -8.93 0.28 0
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193017 78337553 1 BrN2O3H21C23 AB2C3D21E23 -46.93 3.16 -9.19 -1.16 0
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193018 78337554 1 FN4O4H17C22 AB4C4D17E22 -75.64 6.11 -9.28 -1.24 0
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193019 78337555 1 OSN3H25C30 ABC3D25E30 103.79 2.69 -8.18 -1.46 0
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193020 78337556 1 NO5C26H35 AB5C26D35 -192.64 2.38 -8.82 -0.72 0
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193021 78337557 1 N4O7C23H24 A4B7C23D24 -151.0 8.73 -8.53 -1.74 0
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193022 78337558 1 S2N3O3H17C18 A2B3C3D17E18 22.44 4.42 -8.81 -1.95 0
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193023 78337559 1 ClN3O6C26H30 AB3C6D26E30 -165.51 5.21 -8.61 -0.91 1
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193024 78337560 1 N5O5C24H32 A5B5C24D32 -154.81 1.77 0.0 0.0 0
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193025 78337561 1 SO3N5C17H17 AB3C5D17E17 -8.88 11.31 -8.81 -1.69 0
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193026 78337562 1 SO2N5C27H37 AB2C5D27E37 -52.44 4.3 -9.1 -0.68 0
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193027 78337563 1 N3O3H19C22 A3B3C19D22 2.31 4.61 -8.78 -1.64 0
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193028 78337564 1 FN3O3H4C7 AB3C3D4E7 -18.24 3.41 -10.09 -2.1 0
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193029 78337565 1 Cl2N2F3O3H19C21 A2B2C3D3E19F21 -239.51 3.25 -8.6 -0.69 0
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193030 78337566 1 O2S2N3H23C24 A2B2C3D23E24 10.25 5.69 -8.66 -1.42 0
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193031 78337567 1 SO3N5C27H33 AB3C5D27E33 -72.82 4.99 -8.68 -0.52 0
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193032 78337568 1 SN3O6C19H23 AB3C6D19E23 -192.35 9.08 -9.89 -1.71 0
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193033 78337569 1 O2F3N4C19H25 A2B3C4D19E25 -244.03 4.46 -9.74 -0.76 0
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193034 78337570 1 F3O4N5H20C21 A3B4C5D20E21 -200.79 11.84 -9.76 -1.35 0
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193035 78337571 1 SN3O5C22H29 AB3C5D22E29 -177.93 8.79 -9.23 -1.0 0
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193036 78337572 1 SN4O7C18H26 AB4C7D18E26 -194.32 9.45 -9.42 -1.91 0