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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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141976 52960338 1 ClO3N4H13C15 AB3C4D13E15 -9.41 7.3 -10.21 -1.76 1
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141977 52960804 1 O4N6C21H31 A4B6C21D31 -113.05 5.72 0.0 0.0 1
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141978 52961169 1 SO2N5C21H28 AB2C5D21E28 -44.48 7.59 0.0 0.0 0
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141979 52961236 1 ClO4N6H17C21 AB4C6D17E21 5.69 4.86 -9.3 -1.67 0
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141980 52961442 1 ClN8C19H25 AB8C19D25 82.0 4.22 -8.66 -0.21 1
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141981 52961449 1 O4N5C23H26 A4B5C23D26 -87.93 3.63 0.0 0.0 0
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141982 52961450 1 O2N7C22H31 A2B7C22D31 14.16 4.33 -8.36 0.15 1
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141983 52962557 1 ClSO3N4C16H16 ABC3D4E16F16 -89.92 4.13 0.0 0.0 1
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141984 52962558 1 SO2N4C24H43 AB2C4D24E43 -126.43 4.59 0.0 0.0 1
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141985 52962559 1 BrO5N6C22H22 AB5C6D22E22 -74.51 4.27 0.0 0.0 0
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141986 52962560 1 BrSN3O3H22C23 ABC3D3E22F23 -39.08 4.05 -9.19 -1.69 1
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141987 52962561 1 O2N5C12H18 A2B5C12D18 -33.79 6.89 0.0 0.0 1
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141988 52962754 1 O2N6C25H29 A2B6C25D29 8.73 6.24 0.0 0.0 1
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141989 52962798 1 O4N6C26H31 A4B6C26D31 -75.95 4.49 0.0 0.0 0
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141990 52963252 1 ClSN2C9H11 ABC2D9E11 46.2 10.38 -8.14 -1.29 0
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141991 52963274 2 ON2H3C4 AB2C3D4 96.65 4.25 -8.06 -2.4 1
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141992 52964290 1 N4O5C29H29 A4B5C29D29 -101.51 8.71 0.0 0.0 0
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141993 52964773 1 OS2N6C14H18 AB2C6D14E18 59.4 3.44 -8.68 -1.28 0
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141994 52964942 1 OS2N6C21H24 AB2C6D21E24 85.8 4.24 -8.76 -1.3 0
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141995 52964964 1 SN4C7H12 AB4C7D12 71.96 5.11 -8.59 -0.49 0
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141996 52965283 1 SN3O3C17H17 AB3C3D17E17 -40.37 10.04 -9.96 -1.38 0
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141997 52965679 1 SN3O4C26H27 AB3C4D26E27 -87.39 4.37 -8.38 -1.19 0
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141998 52965972 1 S2N3O4C19H21 A2B3C4D19E21 -43.98 10.9 -9.08 -1.37 0
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141999 52965973 1 SN3O5H17C18 AB3C5D17E18 -64.62 7.51 -9.35 -1.15 0
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142000 52966358 1 F2S2N3O3C21H27 A2B2C3D3E21F27 -196.77 7.28 -9.15 -1.31 0
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142001 52966359 1 F2S2N3O4C20H25 A2B2C3D4E20F25 -230.59 7.74 -9.17 -1.36 0
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142002 52966360 1 F2S2N3O3C20H25 A2B2C3D3E20F25 -191.96 9.76 -9.17 -1.33 0
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142003 52966706 1 S2N3O4C23H33 A2B3C4D23E33 -141.0 13.49 -9.09 -0.93 0
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142004 52967586 1 FSN2O3C23H33 ABC2D3E23F33 -167.2 2.01 -8.77 -0.37 0
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142005 52967842 1 N2S2O4C19H24 A2B2C4D19E24 -106.49 6.26 -8.8 -0.54 0
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142006 52968319 1 SN2O4C19H24 AB2C4D19E24 -136.59 2.7 -8.81 -0.68 0
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142007 52968320 1 SN2O4C19H24 AB2C4D19E24 -140.6 2.79 -8.98 -0.56 0
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142008 52968373 1 S2N3O7C22H29 A2B3C7D22E29 -257.18 11.54 -9.43 -1.26 0
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142009 52968374 1 S2N3O7C26H37 A2B3C7D26E37 -285.69 10.94 -9.37 -1.08 0
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142010 52968389 1 BrSN2O5C19H21 ABC2D5E19F21 -184.25 4.31 -8.36 -0.77 0
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142011 52968390 1 SN2O6C20H24 AB2C6D20E24 -218.14 3.3 -8.98 -0.53 0
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142012 52968538 1 S2N3O6C18H23 A2B3C6D18E23 -203.14 8.61 -8.84 -0.68 0
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142013 52968572 1 N3S3O5C17H21 A3B3C5D17E21 -150.44 5.68 -8.86 -1.15 0
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142014 52968576 1 S2N3O7C19H23 A2B3C7D19E23 -249.22 7.29 -9.13 -1.28 0
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142015 52968602 1 S2N3O5C21H23 A2B3C5D21E23 -151.29 6.48 -8.87 -0.96 0
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142016 52968645 1 SN3O4C21H27 AB3C4D21E27 -159.43 2.69 -9.22 -0.66 0
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142017 52968719 1 BrSN2O4C19H23 ABC2D4E19F23 -139.05 4.45 -8.62 -0.8 0
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142018 52968917 1 SN3O6C23H25 AB3C6D23E25 -211.67 3.8 -9.09 -1.56 0
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142019 52969288 1 SN3O6C25H29 AB3C6D25E29 -104.39 6.07 -8.23 -1.51 0
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142020 52969318 1 ClSN3O5C23H24 ABC3D5E23F24 -136.5 6.6 -8.52 -0.97 0
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142021 52969417 1 SN3O5C17H21 AB3C5D17E21 -91.84 10.74 -9.02 -1.62 0
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142022 52969493 1 ClSN2O3C19H19 ABC2D3E19F19 -71.76 9.79 -9.27 -1.18 0
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142023 52969494 1 SN2O4C21H24 AB2C4D21E24 -111.78 9.69 -9.09 -1.1 0
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142024 52969495 1 SN2O5C21H24 AB2C5D21E24 -142.89 9.71 -9.06 -1.14 0
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142025 52969496 1 SCl2N2O3H16C18 AB2C2D3E16F18 -86.76 3.19 -9.45 -1.38 0