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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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36552 8008505 1 ClNO3C17H19 ABC3D17E19 -67.7 7.88 0.0 0.0 0
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36553 8008521 1 FN2O2C15H19 AB2C2D15E19 -112.56 1.85 -9.77 -0.74 1
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36554 8008552 1 SO2N3C23H26 AB2C3D23E26 -7.04 5.38 0.0 0.0 0
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36555 8008637 1 SN2O2H22C23 AB2C2D22E23 -14.83 2.32 -9.23 -0.87 0
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36556 8008682 1 O3N5C15H21 A3B5C15D21 -22.33 8.33 -10.27 -0.89 1
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36557 8008686 1 ON4C24H31 AB4C24D31 22.82 5.47 0.0 0.0 0
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36558 8008715 1 ClSO2N3C21H30 ABC2D3E21F30 -106.55 1.93 -9.02 -0.17 0
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36559 8008742 1 NSO3H21C23 ABC3D21E23 -49.88 5.63 -8.55 -0.72 1
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36560 8008798 1 ClOSN3C21H25 ABCD3E21F25 19.56 10.51 0.0 0.0 0
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36561 8008804 1 NSO4C16H17 ABC4D16E17 -123.76 8.42 -9.46 -0.74 0
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36562 8008832 1 N2O2C21H26 A2B2C21D26 -87.97 5.01 -8.54 -0.1 0
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36563 8008942 1 FON2C23H23 ABC2D23E23 -23.57 3.65 -8.72 -0.18 0
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36564 8008963 1 N2O4C17H26 A2B4C17D26 -172.8 3.71 -8.34 0.06 0
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36565 8008978 1 N3O5C19H29 A3B5C19D29 -263.48 5.9 -10.0 0.17 -1
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36566 8008979 1 N3O5C19H28 A3B5C19D28 -250.14 8.75 0.0 0.0 0
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36567 8008980 1 N3O5C19H29 A3B5C19D29 -267.33 9.11 -10.36 -0.05 1
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36568 8008981 1 BrFO2N3C18H18 ABC2D3E18F18 -4.99 7.47 0.0 0.0 0
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36569 8008983 1 SN3O3C21H25 AB3C3D21E25 -87.22 3.91 -9.21 -0.37 0
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36570 8008984 1 SN3O3C21H25 AB3C3D21E25 -88.33 3.84 -9.33 -0.31 0
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36571 8009009 1 SN3O5C20H25 AB3C5D20E25 -165.77 10.06 -9.18 -1.02 0
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36572 8009025 1 FN2O2C23H23 AB2C2D23E23 -62.12 3.6 -9.11 -0.88 1
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36573 8009036 1 SN3O4C19H30 AB3C4D19E30 -124.89 1.93 0.0 0.0 0
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36574 8009042 1 SN2O2C11H14 AB2C2D11E14 -36.14 4.14 -10.09 -1.37 1
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36575 8009044 1 N2O4C23H29 A2B4C23D29 -107.78 4.53 0.0 0.0 1
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36576 8009059 1 NO2C14H22 AB2C14D22 -63.27 3.27 0.0 0.0 1
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36577 8009065 1 ON3C16H24 AB3C16D24 20.4 6.06 0.0 0.0 1
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36578 8009070 1 NO2C14H24 AB2C14D24 -64.28 5.95 0.0 0.0 0
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36579 8009073 1 O2N6C21H22 A2B6C21D22 42.24 5.55 -8.68 -0.52 0
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36580 8009076 1 SN2O3C12H16 AB2C3D12E16 -107.56 3.56 -9.54 -1.04 0
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36581 8009147 1 SF2N3O5H11C16 AB2C3D5E11F16 -230.48 10.65 -8.86 -2.13 0
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36582 8009149 1 N2O4C21H28 A2B4C21D28 -174.62 3.26 -8.86 -0.43 0
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36583 8009170 1 N2F3O3C8H9 A2B3C3D8E9 -265.44 3.12 -10.04 -0.32 1
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36584 8009173 1 ON3C16H20 AB3C16D20 13.44 3.35 0.0 0.0 0
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36585 8009194 1 N2O2C15H18 A2B2C15D18 -66.78 1.61 -9.18 -0.28 0
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36586 8009228 1 NO4C18H19 AB4C18D19 -129.16 7.57 -8.99 -1.0 0
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36587 8009230 1 N2O3C22H22 A2B3C22D22 -49.08 6.13 -8.95 -0.79 0
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36588 8009232 1 ClNO4H16C17 ABC4D16E17 -130.97 4.77 -9.1 -1.07 0
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36589 8009247 1 ClFNO4H13C16 ABCD4E13F16 -170.09 3.93 -9.11 -1.12 0
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36590 8009271 1 F3N6H11C13 A3B6C11D13 -33.95 3.22 -9.54 -1.27 0
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36591 8009277 1 NCl2O4C19H19 AB2C4D19E19 -149.09 5.7 -9.28 -0.82 0
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36592 8009278 1 NO5C20H23 AB5C20D23 -160.47 1.76 -8.69 -0.57 0
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36593 8009340 1 NSO6C18H19 ABC6D18E19 -201.75 7.9 -8.97 -1.01 0
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36594 8009345 1 OSN2F3H11C20 ABC2D3E11F20 -65.5 5.06 -9.38 -1.08 0
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36595 8009347 2 NO2C8H9 AB2C8D9 -122.16 5.19 -9.39 -1.06 0
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36596 8009349 1 BrNO4C19H20 ABC4D19E20 -106.47 2.23 -8.99 -0.86 0
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36597 8009356 1 BrNO4C19H20 ABC4D19E20 -107.14 4.71 -9.0 -0.91 0
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36598 8009361 1 N2O5C22H26 A2B5C22D26 -157.53 5.08 -8.68 -0.86 0
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36599 8009363 1 N2O5C21H24 A2B5C21D24 -168.36 5.31 -8.64 -0.86 0
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36600 8009365 1 SO2N3C23H23 AB2C3D23E23 -10.54 5.73 -8.6 -0.41 0
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36601 8009367 1 N2O5C20H22 A2B5C20D22 -155.89 7.27 -8.59 -0.55 0