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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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159518 57288350 1 ClNOSC4H6 ABCDE4F6 -47.95 3.54 -9.37 -0.5 0
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159519 57288351 1 NO4H13C16 AB4C13D16 -23.74 7.43 -9.96 -1.31 0
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159520 57288353 1 ClO2H15C17 AB2C15D17 -14.34 5.03 -9.29 -0.86 0
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159521 57288411 1 NO3C15H21 AB3C15D21 -144.22 2.01 -9.35 0.4 0
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159522 57288412 1 ClN2O3C20H25 AB2C3D20E25 -87.26 3.82 -8.93 -0.5 0
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159523 57288413 1 ClSiF4C14H14 ABC4D14E14 -145.57 2.97 0.0 0.0 1
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159524 57288414 1 N3O6C28H36 A3B6C28D36 -207.65 4.54 0.0 0.0 0
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159525 57288416 1 FNSO3C22H22 ABCD3E22F22 -104.99 4.74 -8.56 -0.58 0
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159526 57288417 1 N3O3H7C8 A3B3C7D8 -15.04 3.34 -9.35 -2.39 1
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159527 57288418 1 N3O3C8H8 A3B3C8D8 -39.19 4.51 0.0 0.0 0
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159528 57288420 1 O2F4C9H12 A2B4C9D12 -297.09 4.84 -10.85 -0.24 0
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159529 57288421 1 ClN3C23H26 AB3C23D26 52.89 2.76 -8.31 -0.1 0
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159530 57288422 2 NOC8H10 ABC8D10 -37.91 5.26 -9.87 -0.45 0
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159531 57288423 1 O3N4C22H22 A3B4C22D22 -43.27 7.39 -9.18 -0.38 1
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159532 57288424 1 FNC5H5 ABC5D5 -8.53 1.5 0.0 0.0 0
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159533 57288425 1 N2O9C33H40 A2B9C33D40 -301.47 3.84 -9.42 -0.21 0
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159534 57288426 1 BrF3O3C20H20 AB3C3D20E20 -257.42 5.82 -8.9 -0.51 0
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159535 57288427 1 S2N5O9C23H29 A2B5C9D23E29 -299.83 4.77 -9.15 -0.93 0
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159536 57288428 1 OS2N4C15H20 AB2C4D15E20 16.86 2.75 -9.23 -0.54 0
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159537 57288429 2 NO3C10H13 AB3C10D13 -207.11 5.35 -8.58 -0.29 0
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159538 57288431 1 N4O7C23H32 A4B7C23D32 -277.09 5.22 -9.23 -0.55 0
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159539 57288432 2 NOC12H13 ABC12D13 -23.75 1.26 -9.21 -0.89 0
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159540 57288433 1 NSO4C5H11 ABC4D5E11 -167.86 3.98 -9.88 0.16 0
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159541 57288434 1 OC21H36 AB21C36 -85.74 1.53 -8.56 0.44 0
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159542 57288435 1 SN3O8C27H43 AB3C8D27E43 -277.49 2.64 -8.96 -0.68 0