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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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217677 85088200 2 O3C11H14 A3B11C14 -242.18 6.74 -8.31 -0.43 0
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217678 85088203 1 O2N4C23H24 A2B4C23D24 -16.4 3.43 -9.55 -0.39 0
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217679 85088204 1 SN2O2H20C23 AB2C2D20E23 -16.54 0.55 -8.57 -0.46 0
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217680 85088205 1 O5C23H32 A5B23C32 -220.63 4.39 -9.4 0.3 0
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217681 85088206 2 SO2C10H10 AB2C10D10 -115.39 5.21 -8.8 -1.0 0
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217682 85088209 2 OC13H22 AB13C22 -156.21 3.18 -9.61 0.75 0
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217683 85088212 2 ClON2H8C9 ABC2D8E9 -13.76 7.06 -9.23 -0.71 0
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217684 85088215 1 F2N3O4H17C19 A2B3C4D17E19 -219.7 6.48 -9.02 -0.78 0
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217685 85088218 1 NO4H23C24 AB4C23D24 -88.95 6.08 -9.25 -0.3 0
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217686 85088220 1 NSO5C20H23 ABC5D20E23 -139.75 1.54 -8.7 -0.09 0
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217687 85088222 1 SO2N3H19C22 AB2C3D19E22 28.75 0.68 -8.66 -1.25 0
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217688 85088224 1 O3N5C20H31 A3B5C20D31 -77.0 4.2 -8.67 -0.74 0
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217689 85088225 1 SiN3O6C16H31 AB3C6D16E31 -286.15 3.98 -8.98 -0.03 0
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217690 85088226 1 NO2C26H31 AB2C26D31 -34.55 1.59 -8.78 0.24 0
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217691 85088227 1 N3O3C22H35 A3B3C22D35 -151.86 3.98 -8.68 -0.22 1
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217692 85088228 1 BrN3H19C21 AB3C19D21 151.73 5.84 0.0 0.0 0
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217693 85088229 1 F2O3N4C19H24 A2B3C4D19E24 -183.67 4.47 -9.12 -1.25 0
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217694 85088230 1 FN2S2O6C14H15 AB2C2D6E14F15 -224.84 5.5 -9.4 -1.06 0
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217695 85088231 1 N3O6C19H23 A3B6C19D23 -234.32 4.75 -9.73 -0.37 0
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217696 85088233 1 N2O5C21H30 A2B5C21D30 -204.78 3.51 -8.8 -0.28 0
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217697 85088234 1 N2O3C24H26 A2B3C24D26 -42.67 2.96 -7.97 -0.23 0
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217698 85088235 1 O2N4C23H26 A2B4C23D26 69.64 9.9 -8.93 -1.64 0
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217699 85088236 1 SN2O3C21H30 AB2C3D21E30 -118.91 7.43 -9.25 0.24 0
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217700 85088239 1 OSi2C24H30 AB2C24D30 -66.24 1.13 -8.66 0.17 0
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217701 85088240 1 HgO5C8H15 AB5C8D15 -144.68 6.08 0.0 0.0 0
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217702 85088241 1 HgO3C6H11 AB3C6D11 -42.38 2.07 0.0 0.0 0
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217703 85088242 1 ON3F4H17C20 AB3C4D17E20 -157.38 9.37 -8.62 -1.15 0
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217704 85088244 1 N3O4H21C22 A3B4C21D22 -34.39 25.47 -7.78 -2.26 0
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217705 85088245 1 O3N5C21H23 A3B5C21D23 -10.87 3.66 -8.91 -0.87 0
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217706 85088246 1 FO3N5C19H26 AB3C5D19E26 -142.63 4.01 -8.21 -0.19 0
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217707 85088247 1 NO4C24H25 AB4C24D25 -118.12 6.67 -9.3 -0.87 1
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217708 85088248 1 N3O3C23H24 A3B3C23D24 -57.32 3.97 0.0 0.0 0
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217709 85088249 1 FON3C24H26 ABC3D24E26 -10.2 3.74 -8.69 -0.69 0
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217710 85088252 1 NO2C26H33 AB2C26D33 -82.6 2.61 -8.94 -0.82 0
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217711 85088254 1 ON3C25H33 AB3C25D33 8.79 5.31 -9.17 -0.11 0
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217712 85088258 2 Cl2O2C7H9 A2B2C7D9 -143.86 4.51 -9.78 -0.67 0
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217713 85088259 1 IO4C15H21 AB4C15D21 -154.68 2.08 -9.68 -1.22 0
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217714 85088260 1 N2O6H16C21 A2B6C16D21 -168.91 6.84 -9.47 -2.19 0
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217715 85088261 1 ON2F4H20C21 AB2C4D20E21 -163.36 3.87 -8.98 -0.71 0
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217716 85088262 4 O2C5H6 A2B5C6 -339.14 3.72 -9.73 0.07 0
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217717 85088263 2 N2O3C9H12 A2B3C9D12 -198.65 7.2 -9.33 -0.87 0
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217718 85088264 1 FO2N4C22H25 AB2C4D22E25 -57.09 1.25 -8.92 -0.52 0
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217719 85088265 1 PO3C24H25 AB3C24D25 -78.69 6.61 -8.56 -0.1 0
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217720 85088266 1 OF2N2H22C24 AB2C2D22E24 -50.2 2.81 -8.78 -0.56 0
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217721 85088270 2 NO3C10H14 AB3C10D14 -263.27 5.79 -8.71 -0.44 0
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217722 85088271 1 N2O4C23H24 A2B4C23D24 -122.71 11.36 -9.82 -1.59 0
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217723 85088272 1 O3N4C22H26 A3B4C22D26 -50.69 3.06 -8.55 -0.43 0
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217724 85088273 1 O3N4C22H24 A3B4C22D24 -86.03 3.42 -8.82 -0.69 0
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217725 85088274 1 N2O5C21H32 A2B5C21D32 -245.9 4.74 -9.05 0.14 0
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217726 85088275 1 SO5C21H28 AB5C21D28 -177.91 6.73 -8.2 0.11 0