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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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84525 49867261 1 NO3C5H9 AB3C5D9 -126.31 5.02 -10.4 -0.19 0
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84526 49867299 1 NSO3C5H11 ABC3D5E11 -139.41 4.91 -9.2 0.15 1
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84527 49867300 1 PN3O7C10H17 AB3C7D10E17 -349.67 6.19 0.0 0.0 0
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84528 49867301 1 FN3O5C15H16 AB3C5D15E16 -201.9 7.88 -9.21 -1.72 0
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84529 49867302 1 N4O16C35H44 A4B16C35D44 -688.76 4.14 -9.28 -0.39 0
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84530 49867303 1 PN2O8C11H17 AB2C8D11E17 -411.77 5.16 -9.59 -0.43 0
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84531 49867321 1 N3O5C12H19 A3B5C12D19 -194.83 4.74 -9.6 -0.46 1
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84532 49867362 1 NO2C13H14 AB2C13D14 -33.83 6.34 0.0 0.0 0
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84533 49867370 1 PN3C9O10H14 AB3C9D10E14 -421.77 3.22 -10.6 -1.5 0
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84534 49867395 1 O2N5C21H29 A2B5C21D29 -34.81 3.9 -9.38 -0.17 0
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84535 49867396 1 PN2O8C9H13 AB2C8D9E13 -315.94 7.16 -10.1 -0.95 0
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84536 49867397 1 O7N9C28H39 A7B9C28D39 -259.07 4.2 -8.61 -0.21 0
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84537 49867401 1 SN7H11C13 AB7C11D13 145.32 5.81 -8.75 -1.08 0
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84538 49867402 1 N3O4C17H19 A3B4C17D19 -86.11 8.94 -8.92 -2.11 0
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84539 49867405 1 N2O5C10H18 A2B5C10D18 -237.16 10.32 -9.5 -0.1 0
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84540 49867440 1 ClNO4C9H10 ABC4D9E10 -161.64 4.77 -9.41 -0.65 0
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84541 49867508 1 O2C53H80 A2B53C80 -49.14 1.13 -8.14 -1.61 0
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84542 49867530 1 NSSeO2C3H7 ABCD2E3F7 -54.91 4.0 -9.23 -2.01 -1
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84543 49867548 1 NC3O3H8 AB3C3D8 -107.28 1.07 0.0 0.0 0
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84544 49867579 1 ClNO5C10H20 ABC5D10E20 -269.73 1.07 -9.41 0.84 0
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84545 49867633 1 N3O9H21C26 A3B9C21D26 -298.39 11.67 -8.49 -1.36 0
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84546 49867660 1 S3N8O8H18C21 A3B8C8D18E21 -155.56 3.64 -8.4 -2.13 0
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84547 49867664 1 ON5C30H47 AB5C30D47 -56.02 5.06 -7.52 0.26 0
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84548 49867673 1 SN4O8C22H26 AB4C8D22E26 -270.49 2.02 -10.02 -1.13 4
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84550 49867688 1 SP3N7O17C39H72 AB3C7D17E39F72 -975.38 6.16 -8.95 -0.63 0