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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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180557 76653536 1 NO11C42H49 AB11C42D49 -398.06 13.34 -9.02 -1.62 0
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180558 76653943 1 ON3C15H19 AB3C15D19 24.78 3.7 -8.74 -0.47 0
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180559 76654213 1 F4N7H21C29 A4B7C21D29 -8.21 2.37 -8.66 -1.29 0
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180560 76654214 1 F3N7H24C26 A3B7C24D26 4.81 6.4 -8.11 -1.03 0
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180561 76654215 1 ClFO2N7H27C28 ABC2D7E27F28 18.68 4.89 -8.54 -1.05 0
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180562 76654216 1 OF4N6C25H26 AB4C6D25E26 -129.95 5.32 -8.39 -0.81 0
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180563 76654217 1 F4N7H21C26 A4B7C21D26 -15.18 2.97 -8.76 -1.36 0
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180564 76654218 2 ON4C15H17 AB4C15D17 62.57 4.13 -8.24 -0.8 0
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180565 76654219 1 FO2N7C30H32 AB2C7D30E32 14.19 1.96 -8.34 -0.98 0
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180566 76654220 1 F3N7H22C24 A3B7C22D24 -12.39 8.56 -8.42 -0.98 0
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180567 76654221 1 F4N7H21C25 A4B7C21D25 -41.41 1.24 -8.8 -1.36 0
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180568 76654222 1 FO2N9C24H28 AB2C9D24E28 22.12 3.09 -8.34 -0.95 0
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180569 76654223 1 FON9C24H28 ABC9D24E28 77.49 4.69 -8.17 -0.83 0
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180570 76654224 1 F4N7H19C24 A4B7C19D24 -35.94 5.5 -8.76 -1.33 0
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180571 76654309 1 F2O3N5C22H31 A2B3C5D22E31 -201.14 2.31 -9.58 0.17 0
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180572 76654310 1 F2O2N6C25H32 A2B2C6D25E32 -95.76 4.36 -9.02 -0.27 0
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180573 76654311 1 F2O2N6C23H30 A2B2C6D23E30 -114.83 4.39 -9.02 -0.32 0
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180574 76654312 1 F2O4N5C18H23 A2B4C5D18E23 -254.08 3.55 -10.16 -0.56 0
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180575 76654622 1 O3N5C22H25 A3B5C22D25 -7.0 7.89 -8.33 -1.84 0
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180576 76655098 1 ClFN5O6C26H29 ABC5D6E26F29 -207.63 6.16 -9.73 -1.23 0
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180577 76656445 1 ON5C28H33 AB5C28D33 34.23 1.43 -8.6 -0.48 1
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180578 76656446 1 F3N4O6C24H26 A3B4C6D24E26 -363.08 28.87 0.0 0.0 0
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180579 76656783 2 O3C5H9 A3B5C9 -290.85 2.19 -10.32 0.75 0
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180580 76656784 1 YO6C11H20 AB6C11D20 -212.07 9.3 0.0 0.0 0
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180581 76657227 2 ON2C12H17 AB2C12D17 -51.1 4.5 -8.88 -0.2 0
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180582 76657401 1 NO2C21H25 AB2C21D25 -11.33 1.49 -8.42 0.3 0
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180583 76657542 1 NOSF3C20H28 ABCD3E20F28 -179.27 5.62 -8.55 -0.52 0
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180584 76657543 1 O2F3N4C22H25 A2B3C4D22E25 -90.66 5.96 -9.22 -0.94 0
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180585 76657544 1 N2F3O3C24H31 A2B3C3D24E31 -181.97 3.91 -9.28 -0.9 0
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180586 76657559 1 N2S2O3C24H40 A2B2C3D24E40 -125.32 4.41 -8.36 0.55 0
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180587 76658187 1 OF3C27H33 AB3C27D33 -172.94 2.41 -8.92 -0.12 0
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180588 76658544 1 ClFN2O2C11H12 ABC2D2E11F12 -90.4 2.48 -9.18 -0.64 0
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180589 76658664 1 PO13C42H53 AB13C42D53 -584.81 5.74 -9.06 -1.39 0
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180590 76658665 1 NO13C46H61 AB13C46D61 -519.64 4.81 -8.99 -1.76 0
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180591 76658666 1 ClO16C62H69 AB16C62D69 -604.09 5.16 -8.99 -1.03 0
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180592 76658786 1 N2O13C48H72 A2B13C48D72 -590.64 6.65 -8.24 -0.39 0
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180593 76658787 1 N2O13C46H74 A2B13C46D74 -601.31 6.86 -9.15 0.36 0
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180594 76658886 1 SF2N2O4C24H36 AB2C2D4E24F36 -279.73 4.77 -8.58 -0.4 0
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180595 76658954 1 NSO4C22H35 ABC4D22E35 -189.61 8.26 -8.07 0.43 0
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180596 76658955 1 NSO4C23H37 ABC4D23E37 -196.3 8.46 -8.08 0.42 0
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180597 76658956 1 NSO4C25H39 ABC4D25E39 -198.32 6.57 -8.09 0.48 0
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180598 76658957 1 NS2O6C24H31 AB2C6D24E31 -218.86 6.08 -9.3 -0.82 0
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180599 76658958 1 FSN2O4C23H35 ABC2D4E23F35 -232.71 5.47 -8.32 0.13 0
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180600 76658959 1 NSF2O4C24H35 ABC2D4E24F35 -276.07 7.01 -8.56 -0.44 0
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180601 76658960 1 FNSO4C25H40 ABCD4E25F40 -252.42 5.85 -8.62 0.24 0
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180602 76659570 1 ClSN4O6H37C46 ABC4D6E37F46 -65.04 5.68 -9.08 -0.97 0
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180603 76659571 1 SCl2N5O6H39C50 AB2C5D6E39F50 -46.9 5.23 -9.12 -1.32 0
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180604 76659750 1 BrFO3N4H20C23 ABC3D4E20F23 -62.23 6.14 -8.15 -1.27 0
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180605 76659845 1 ClN3O6C29H36 AB3C6D29E36 -251.18 6.87 -8.52 -0.5 0
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180606 76659858 1 NWC7H15 ABC7D15 272.72 3.85 -4.51 -2.22 -1