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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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288425 104316512 1 O4C11H14 A4B11C14 -164.51 5.91 -9.66 -0.73 0
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288426 104316518 1 ClO4C11H13 AB4C11D13 -174.39 6.72 -9.88 -1.01 0
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288427 104316521 1 O5C12H16 A5B12C16 -195.16 3.59 -8.98 -0.7 0
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288428 104316527 1 NO4C10H13 AB4C10D13 -147.83 6.38 -9.64 -1.06 0
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288429 104316533 1 SO4C10H14 AB4C10D14 -172.31 7.24 -9.06 -0.85 0
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288430 104316536 4 OC3H4 AB3C4 -165.71 4.57 -9.28 -0.39 0
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288431 104316542 1 NO4C10H13 AB4C10D13 -149.53 4.89 -9.95 -1.14 0
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288432 104316559 1 NSO3C10H13 ABC3D10E13 -113.28 6.04 -9.17 -1.26 0
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288433 104316593 1 NO3C12H19 AB3C12D19 -117.31 3.66 -8.17 0.17 0
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288434 104316605 1 NO2C16H27 AB2C16D27 -107.98 3.91 -8.82 0.23 0
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288435 104316608 1 NO2C12H19 AB2C12D19 -79.89 1.73 -8.59 0.37 0
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288436 104316610 1 NO2C14H23 AB2C14D23 -96.46 2.76 -8.65 0.2 0
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288437 104316611 1 NO2C14H21 AB2C14D21 -62.8 2.32 -8.64 0.32 0
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288438 104316617 1 BrNO2C14H22 ABC2D14E22 -88.12 5.1 -8.81 -0.12 0
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288439 104316620 1 N2O4C13H20 A2B4C13D20 -91.79 3.37 -9.33 -1.05 0
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288440 104316659 1 NO2C13H21 AB2C13D21 -88.43 3.03 -8.8 0.28 0
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288441 104316662 1 NO2C15H25 AB2C15D25 -96.85 1.1 -8.54 0.39 0
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288442 104316677 1 N2O4C13H20 A2B4C13D20 -91.76 7.51 -9.03 -1.12 0
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288443 104316680 2 NO2C7H10 AB2C7D10 -71.68 7.39 -9.2 -1.18 0
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288444 104316689 1 NO2C16H21 AB2C16D21 -63.72 2.62 -8.37 -0.48 0
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288445 104316746 1 N2O4C13H20 A2B4C13D20 -90.21 6.31 -9.37 -1.04 0
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288446 104316749 2 NO2C7H10 AB2C7D10 -64.9 6.96 -9.52 -1.06 0
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288447 104316770 1 NO3C14H23 AB3C14D23 -122.07 1.84 -8.58 0.38 0
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288448 104316773 1 BrNO3C16H26 ABC3D16E26 -133.16 4.45 -8.43 -0.08 0
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288449 104316779 1 ClNO2C15H24 ABC2D15E24 -109.56 3.3 -8.69 0.03 0