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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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147573 53787229 2 OC8H14 AB8C14 -79.31 1.31 -10.09 2.09 0
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147574 53787230 1 O2N3C15H23 A2B3C15D23 -74.56 2.94 -9.28 -0.86 0
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147575 53787231 1 NO4C8H15 AB4C8D15 -173.34 2.89 -10.04 -0.25 0
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147576 53787232 1 S9N19O25C122H135 A9B19C25D122E135 -620.02 17.55 -8.1 -1.25 0
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147577 53787233 1 S2N4O5C23H26 A2B4C5D23E26 -132.27 6.45 -9.41 -1.07 0
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147578 53787234 1 S2N3O5C24H27 A2B3C5D24E27 -150.72 3.48 -8.99 -0.84 0
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147579 53787235 1 SN3O5C27H27 AB3C5D27E27 -91.05 4.43 -9.2 -0.94 0
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147580 53787236 1 S2N4O5C25H28 A2B4C5D25E28 -119.56 5.18 -9.42 -0.92 0
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147581 53787237 1 O3C12H16 A3B12C16 -134.96 4.19 -9.91 -0.59 0
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147582 53787238 1 O2N5C18H31 A2B5C18D31 -61.3 2.35 -8.33 0.62 0
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147583 53787239 1 NOC12H15 ABC12D15 12.01 1.85 -10.27 0.32 0
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147584 53787240 1 N3O4C22H23 A3B4C22D23 -62.42 3.87 -9.57 -0.76 0
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147585 53787241 1 SN3O6C34H39 AB3C6D34E39 -179.54 7.86 -8.95 -0.72 0
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147586 53787242 1 NO4C28H55 AB4C28D55 -296.57 3.13 -10.06 0.4 0
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147587 53787243 1 PSO5C13H21 ABC5D13E21 -268.63 2.84 -9.31 -0.46 0
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147588 53787244 2 NSC12H19 ABC12D19 -14.35 6.93 -8.23 -0.81 0
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147589 53787245 1 N4O9C30H34 A4B9C30D34 -302.55 5.6 -9.2 -1.62 0
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147590 53787246 1 N4O9C30H34 A4B9C30D34 -302.35 11.92 -9.37 -1.87 0
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147591 53787247 1 N4O9C30H34 A4B9C30D34 -302.25 5.1 -8.94 -1.44 0
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147592 53787248 1 OC20H34 AB20C34 -41.68 1.72 -9.09 0.56 0
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147593 53787249 1 ClN2O4C19H19 AB2C4D19E19 -79.69 5.66 -8.66 -0.46 0
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147594 53787250 1 ClOH11C12 ABC11D12 25.91 4.0 -9.63 -0.41 0
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147595 53787251 1 OCl2N3C15H15 AB2C3D15E15 -11.15 7.87 -9.45 -0.54 0
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147596 53787252 1 N3O3C13H25 A3B3C13D25 -162.97 4.82 -9.6 0.54 0
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147597 53787253 1 FO5C26H41 AB5C26D41 -329.76 3.97 -9.27 0.24 0
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147598 53787254 1 SO5N7C13H13 AB5C7D13E13 -36.57 3.03 -9.82 -1.27 1
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147599 53787255 1 SO6N7H20C22 AB6C7D20E22 -28.48 6.84 0.0 0.0 0
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147600 53787256 1 O3N4C15H18 A3B4C15D18 -85.16 4.54 -9.16 -0.86 0
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147601 53787257 1 O5C22H40 A5B22C40 -292.35 5.26 -10.07 0.49 0
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147602 53787258 1 O3C28H48 A3B28C48 -208.05 1.29 -8.69 0.04 0
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147603 53787259 1 O2N5H17C18 A2B5C17D18 9.26 4.37 -8.62 -0.67 0
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147604 53787260 1 NPO4C17H34 ABC4D17E34 -257.53 3.26 -8.7 0.2 0
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147605 53787261 1 ClSN4O6H25C30 ABC4D6E25F30 -76.8 7.29 -8.72 -1.32 0
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147606 53787262 1 N4O6C29H40 A4B6C29D40 -222.95 1.68 -8.96 -0.33 0
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147607 53787263 1 N2O6H14C15 A2B6C14D15 -137.07 2.36 -10.73 -1.82 0
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147608 53787264 1 OSN3C24H27 ABC3D24E27 17.68 1.59 -8.65 -1.25 0
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147609 53787265 1 NCl2O2C5H7 AB2C2D5E7 -111.05 2.55 -10.96 -0.92 1
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147610 53787266 1 ON4H27C28 AB4C27D28 82.4 5.1 0.0 0.0 0
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147611 53787267 1 N2S3O4H26C28 A2B3C4D26E28 -59.48 7.21 -9.14 -1.09 0
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147612 53787268 1 BrNOF2H8C11 ABCD2E8F11 -102.51 5.1 -9.92 -1.37 0
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147613 53787269 1 O6H10C11 A6B10C11 -226.59 5.88 -9.64 -1.17 0
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147614 53787270 1 NO2C24H35 AB2C24D35 -88.06 11.38 -7.48 -1.02 0
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147615 53787271 1 SN4O5C14H20 AB4C5D14E20 -143.8 6.92 -8.72 -1.27 0
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147616 53787272 1 NO3C16H17 AB3C16D17 -74.34 3.3 -8.8 -0.51 0
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147617 53787273 1 ClN2O2C19H25 AB2C2D19E25 -28.69 2.86 -8.97 -0.09 0
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147618 53787274 1 C2S2N3H5 A2B2C3D5 71.55 1.38 -9.08 -1.43 1
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147619 53787275 1 PO4C14H20 AB4C14D20 -171.86 2.51 0.0 0.0 0
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147620 53787276 1 BrN4H15C17 AB4C15D17 118.39 4.94 -8.44 -0.68 0
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147621 53787277 1 OCl2H20C22 AB2C20D22 -17.63 3.46 -8.66 -0.24 0
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147622 53787278 1 O2N4F6C23H24 A2B4C6D23E24 -285.78 6.96 -9.23 -1.12 0