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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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135487 51879150 1 OF2S3N4C15H16 AB2C3D4E15F16 -48.56 8.08 -8.93 -1.48 1
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135488 51879473 1 OSN5C29H32 ABC5D29E32 97.91 7.15 0.0 0.0 0
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135489 51879474 1 OSN5C29H31 ABC5D29E31 76.72 5.41 -9.03 -0.58 1
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135490 51879475 1 OSN6C26H31 ABC6D26E31 95.27 7.66 0.0 0.0 0
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135491 51880498 1 Cl2N3O6H17C21 A2B3C6D17E21 -198.76 2.9 -8.92 -1.02 0
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135492 51880499 1 Cl2N3O5H19C21 A2B3C5D19E21 -166.39 1.69 -8.53 -0.92 0
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135493 51880500 1 Cl2N3O5H19C21 A2B3C5D19E21 -165.71 3.27 -8.53 -0.95 0
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135494 51880510 1 FSN2O2C20H23 ABC2D2E20F23 -105.26 3.98 -8.73 -0.59 0
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135495 51880511 1 ClNO7H20C21 ABC7D20E21 -245.18 6.21 -8.94 -1.15 0
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135496 51880924 1 SO2N3C19H25 AB2C3D19E25 -43.84 1.45 -8.95 -0.88 0
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135497 51881394 1 O3N4C27H34 A3B4C27D34 -99.55 6.49 -8.47 -0.19 0
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135498 51881584 1 ClSN2O3C18H27 ABC2D3E18F27 -141.94 2.66 -9.59 -1.05 0
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135499 51881762 1 SN2O5C23H32 AB2C5D23E32 -207.92 9.7 -9.27 -0.82 0
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135500 51882216 1 BrFO3N4H14C19 ABC3D4E14F19 -84.81 2.95 -9.22 -1.27 0
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135501 51882217 1 BrFO3N4H14C19 ABC3D4E14F19 -75.25 3.67 -9.39 -0.99 0
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135502 51882234 1 ClF3O3N4H14C20 AB3C3D4E14F20 -209.07 4.85 -9.58 -1.16 0
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135503 51882342 1 N3O4C23H27 A3B4C23D27 -136.94 3.04 -9.07 -0.04 0
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135504 51882343 1 N3O4C23H27 A3B4C23D27 -138.2 3.59 -8.97 -0.35 0
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135505 51882344 1 N3O4C23H27 A3B4C23D27 -138.98 1.19 -9.04 -0.15 0
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135506 51882550 1 OSN5C28H31 ABC5D28E31 48.31 5.36 -8.83 -0.9 1
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135507 51883089 1 OSN4C25H29 ABC4D25E29 69.3 3.19 0.0 0.0 0
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135508 51883090 1 OSN4C25H28 ABC4D25E28 46.63 4.19 -8.72 -0.44 1
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135509 51883091 1 OSN4C25H29 ABC4D25E29 77.57 12.72 0.0 0.0 0
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135510 51883232 1 SN2O4C19H28 AB2C4D19E28 -150.47 7.63 -9.54 -0.55 0
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135511 51883233 1 SN2O4C19H28 AB2C4D19E28 -150.7 4.53 -9.23 -0.28 0