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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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166592 74713643 1 O4N5C19H22 A4B5C19D22 -101.94 9.27 0.0 0.0 1
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166593 74713644 1 O3N5C20H26 A3B5C20D26 -75.35 5.91 0.0 0.0 2
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166594 74713726 1 BrN3O3C19H22 AB3C3D19E22 -11.39 20.76 -6.33 -0.83 -1
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166595 74714100 1 OS2N4H9C10 AB2C4D9E10 96.18 4.32 0.0 0.0 -1
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166596 74714101 1 SO3N4C15H17 AB3C4D15E17 18.13 3.36 0.0 0.0 1
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166597 74714149 1 NO2C22H34 AB2C22D34 -92.17 1.66 0.0 0.0 0
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166598 74714222 1 ON6C29H30 AB6C29D30 86.99 6.29 -8.74 -0.61 1
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166599 74714314 1 FO2N3C18H27 AB2C3D18E27 -70.21 3.42 0.0 0.0 0
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166600 74714315 1 O4N5C20H27 A4B5C20D27 -136.43 4.56 -8.84 -0.13 0
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166601 74714316 1 SO3N5C20H27 AB3C5D20E27 -67.8 5.09 -8.99 -0.22 -1
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166602 74714605 1 N2S2O6H23C24 A2B2C6D23E24 -146.85 6.87 0.0 0.0 -1
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166603 74714606 1 N2S3O6C20H23 A2B3C6D20E23 -124.95 6.43 0.0 0.0 -1
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166604 74714607 1 S2N3O7C20H22 A2B3C7D20E22 -222.27 5.26 0.0 0.0 1
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166605 74715066 1 ON2C21H25 AB2C21D25 38.88 4.23 0.0 0.0 0
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166606 74715113 1 N6O7C17H22 A6B7C17D22 -159.27 9.97 -9.71 -1.24 1
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166607 74716070 1 N2O3C23H31 A2B3C23D31 -87.34 3.07 0.0 0.0 1
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166608 74716229 1 SN4O5C23H29 AB4C5D23E29 -46.12 5.57 0.0 0.0 1
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166609 74716721 1 S2N3O6C21H32 A2B3C6D21E32 -210.26 8.34 0.0 0.0 0
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166610 74716829 1 N2O5C25H30 A2B5C25D30 -150.3 9.97 -8.47 -0.45 -1
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166611 74716842 1 O2N4H15C25 A2B4C15D25 94.17 6.86 0.0 0.0 -1
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166612 74716946 1 FSN2O5H22C28 ABC2D5E22F28 -96.87 4.51 0.0 0.0 -1
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166613 74717099 1 N2S2O6H15C20 A2B2C6D15E20 -105.26 5.13 0.0 0.0 1
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166614 74717361 1 ClN2O6C25H28 AB2C6D25E28 -155.9 8.2 0.0 0.0 -1
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166615 74717362 1 N3O6C19H22 A3B6C19D22 -80.91 7.39 0.0 0.0 1
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166616 74717636 1 O2N5C18H22 A2B5C18D22 55.94 1.13 0.0 0.0 1
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166617 74717797 1 ClN3O3C19H27 AB3C3D19E27 -94.45 4.81 0.0 0.0 1
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166618 74718016 1 N3O3C20H26 A3B3C20D26 -48.9 2.4 0.0 0.0 1
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166619 74718017 1 O2N3C22H24 A2B3C22D24 40.99 3.42 0.0 0.0 1
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166620 74718018 1 S2N3O5C21H28 A2B3C5D21E28 -116.49 19.36 0.0 0.0 1
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166621 74718028 1 FO2N6C20H22 AB2C6D20E22 -50.82 2.73 0.0 0.0 1
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166622 74718029 1 ClO2N6C20H22 AB2C6D20E22 -13.37 2.87 0.0 0.0 1
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166623 74718030 1 O4N6C23H27 A4B6C23D27 -99.02 4.56 0.0 0.0 1
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166624 74718073 1 O4N6C21H35 A4B6C21D35 -149.8 1.45 0.0 0.0 1
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166626 74718332 1 FN2O5H16C20 AB2C5D16E20 -117.25 11.76 0.0 0.0 1
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166627 74718333 1 N3O3C15H26 A3B3C15D26 -147.27 10.08 0.0 0.0 1
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166628 74718334 1 NO7C24H28 AB7C24D28 -183.36 12.27 0.0 0.0 1
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166629 74718335 1 O2S2N4C24H25 A2B2C4D24E25 52.32 8.39 0.0 0.0 -1
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166630 74718336 1 N2Cl3O4H10C21 A2B3C4D10E21 -5.66 18.25 0.0 0.0 1
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166631 74718339 1 OSN3C29H32 ABC3D29E32 87.19 15.39 0.0 0.0 -1
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166632 74718448 1 O3N5C17H22 A3B5C17D22 -34.83 4.29 0.0 0.0 1
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166633 74718546 1 SO2N5C26H30 AB2C5D26E30 61.75 19.66 0.0 0.0 -1
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166634 74718547 1 SN2O5H23C27 AB2C5D23E27 -80.33 7.68 0.0 0.0 1
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166635 74718548 1 SO4N5C17H24 AB4C5D17E24 -34.07 5.9 0.0 0.0 0
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166636 74718903 1 BrNO4C24H28 ABC4D24E28 -151.41 3.02 -9.44 -0.78 0
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166637 74719506 1 SF3N6C18H21 AB3C6D18E21 -64.93 2.65 -8.51 -0.28 -1
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166638 74719512 1 NF3O4H9C12 AB3C4D9E12 -270.09 5.85 0.0 0.0 -1
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166639 74719628 1 N2S2O6C17H17 A2B2C6D17E17 -155.18 3.07 0.0 0.0 0
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166640 74719691 1 NCl2O3H11C17 AB2C3D11E17 -41.9 1.62 -9.57 -1.29 1
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166641 74719848 1 FN4O5H24C26 AB4C5D24E26 -169.46 1.85 0.0 0.0 -1
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166642 74720709 1 ClNS2O4C25H27 ABC2D4E25F27 -48.47 2.87 0.0 0.0 1