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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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128189 51034389 2 N8O12H47C48 A8B12C47D48 108.49 36.94 -6.37 -2.79 0
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128190 51034390 4 N4O6C25H26 A4B6C25D26 -63.23 26.44 -8.0 -1.7 0
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128192 51034458 1 FIN2H4C5 ABC2D4E5 5.48 1.24 -9.21 -1.3 0
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128193 51034465 1 ON5C18H23 AB5C18D23 48.53 3.24 -8.74 -0.7 0
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128194 51034466 1 O2N5C17H21 A2B5C17D21 4.77 0.47 -8.62 -0.94 0
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128195 51034467 1 O2N5C19H25 A2B5C19D25 6.94 6.47 -8.7 -0.84 0
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128196 51034552 1 NO3C29H29 AB3C29D29 -63.69 3.47 -8.64 -0.64 0
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128197 51034610 2 N3H7C9 A3B7C9 168.86 6.69 -9.0 -0.91 0
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128198 51034669 1 NF3O3H24C28 AB3C3D24E28 -213.6 2.23 -8.89 -0.94 0
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128199 51034670 1 ClNO4H24C27 ABC4D24E27 -105.23 2.0 -9.0 -1.05 0
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128200 51034671 2 NO2H12C14 AB2C12D14 -62.71 3.88 -9.01 -1.15 0
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128201 51034695 1 N2C15H24 A2B15C24 31.37 0.81 -8.65 0.43 0
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128202 51034759 1 N3O5C25H33 A3B5C25D33 -150.46 3.75 -9.05 -0.24 0
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128203 51034834 1 O15N18C55H74 A15B18C55D74 -433.6 7.65 -8.01 -0.4 0
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128204 51035113 1 N2O2F6H22C23 A2B2C6D22E23 -384.78 3.58 -9.24 -1.35 0
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128205 51035171 1 O5C23H24 A5B23C24 -117.96 2.15 -8.54 -1.22 0
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128207 51035438 1 SF6N6O6C29H30 AB6C6D6E29F30 -480.64 8.66 -8.95 -1.52 0
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128208 51035449 1 ON3F7H24C26 AB3C7D24E26 -319.94 3.18 -8.94 -0.95 0
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128209 51035450 1 ON3F6C27H27 AB3C6D27E27 -285.21 1.89 -8.65 -0.66 0
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128210 51035451 1 ON4F6C24H24 AB4C6D24E24 -275.88 5.23 -9.06 -0.73 0
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128211 51035548 1 O3N7C32H43 A3B7C32D43 -82.26 3.2 -8.18 -0.8 0
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128212 51035633 2 N2O2C16H19 A2B2C16D19 -110.37 4.85 -8.68 -0.34 0
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128213 51035693 1 FSO4N5C30H38 ABC4D5E30F38 -194.6 6.96 -8.8 -0.53 0
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128214 51035731 1 ClFN3C20H21 ABC3D20E21 2.02 1.3 -8.44 -0.59 0
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128215 51035750 1 SO2F3N5H14C20 AB2C3D5E14F20 -113.83 9.37 -8.34 -1.13 0
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128216 51035894 1 ON5C25H35 AB5C25D35 20.16 2.84 -8.08 -0.13 0
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128217 51035916 1 N2F4O4C21H22 A2B4C4D21E22 -314.51 3.14 -8.78 -2.03 1
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128218 51036002 1 Cl2O3N9C26H28 A2B3C9D26E28 103.06 24.27 0.0 0.0 0
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128219 51036003 1 BrCl2F3O3N9H23C25 AB2C3D3E9F23G25 -87.97 6.0 -8.59 -1.71 0
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128220 51036112 1 FSO4N5C32H46 ABC4D5E32F46 -230.71 3.28 -8.79 -1.04 0
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128221 51036113 1 FSO4N5C35H46 ABC4D5E35F46 -208.69 10.79 -8.43 -0.49 0
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128222 51036157 1 O2N4C23H28 A2B4C23D28 -32.39 1.89 -8.13 -0.5 0
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128223 51036375 1 N4O5H26C27 A4B5C26D27 -74.47 13.57 -8.51 -1.63 0
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128224 51036519 1 FN4O4C33H41 AB4C4D33E41 -193.58 5.04 -8.62 -0.68 0
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128225 51036585 1 O4N8C33H48 A4B8C33D48 -96.66 6.91 -8.09 -0.72 0
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128226 51036638 1 SN6O10C46H54 AB6C10D46E54 -295.74 10.39 -8.82 -1.16 0
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128227 51036664 1 ClNF2O2H14C22 ABC2D2E14F22 -100.25 4.9 -8.72 -0.87 0
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128228 51036707 1 FN2O2C19H21 AB2C2D19E21 -96.19 3.66 -9.54 -0.57 0
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128229 51036770 1 SCl2N4O4C29H32 AB2C4D4E29F32 -82.28 5.06 -8.88 -1.38 0
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128230 51036810 1 SN6O7C47H60 AB6C7D47E60 -225.72 7.43 -8.42 -0.85 1
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128231 51036817 1 BrClO4N10C25H25 ABC4D10E25F25 72.81 11.72 0.0 0.0 0
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128232 51036818 1 ClBr2O3N9H26C27 AB2C3D9E26F27 155.4 13.05 -8.58 -1.9 1
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128233 51036819 1 BrClO3N9H26C27 ABC3D9E26F27 164.71 11.23 0.0 0.0 0
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128234 51036820 1 Br3O3N9C25H26 A3B3C9D25E26 88.21 9.13 -7.78 -1.6 1
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128235 51036821 1 Br2O3N9C25H26 A2B3C9D25E26 119.31 12.22 0.0 0.0 0
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128236 51036822 1 Br3O3N9C26H28 A3B3C9D26E28 88.55 11.48 -7.61 -2.1 1
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128237 51036823 1 Br2O3N9C26H28 A2B3C9D26E28 117.7 8.41 0.0 0.0 0
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128238 51036824 1 N12O16C41H60 A12B16C41D60 -706.45 5.58 -8.71 -0.32 0
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128242 51036828 1 O3N7C30H37 A3B7C30D37 -60.8 4.44 -8.4 -0.21 0
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128243 51036829 1 N5O5C34H39 A5B5C34D39 -162.69 4.21 -8.98 -0.57 0
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128244 51036830 1 N5O5C34H43 A5B5C34D43 -188.27 2.46 -8.69 -0.32 0
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128245 51036831 1 O3N5C34H39 A3B5C34D39 -48.52 7.61 -8.72 -0.18 0
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128246 51036832 1 N7O7C36H45 A7B7C36D45 -252.47 6.76 -8.76 -0.52 0
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128247 51036833 1 N7O9C36H45 A7B9C36D45 -338.1 6.98 -8.76 -0.57 0
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128248 51036834 1 N7O9C36H45 A7B9C36D45 -344.09 3.58 -8.68 -0.54 0
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128249 51036835 1 N7O9C38H49 A7B9C38D49 -331.08 11.82 -8.51 -0.67 0
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128250 51036836 1 O6N9C50H67 A6B9C50D67 -254.41 3.59 -8.86 -0.98 0
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128251 51036837 1 O4N7C36H41 A4B7C36D41 -80.57 2.5 -8.49 -0.74 0
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128252 51036879 1 ClFN5H17C23 ABC5D17E23 89.56 7.63 -8.72 -0.99 1
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128253 51036902 1 N4O9C44H67 A4B9C44D67 -355.03 2.39 0.0 0.0 0
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128254 51036903 1 ClFO2N7H23C27 ABC2D7E23F27 10.13 11.62 -8.74 -1.19 0
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128255 51036904 1 O4N7C29H29 A4B7C29D29 -12.86 6.35 -8.34 -0.94 0
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128256 51036905 1 ClO2N7H24C27 AB2C7D24E27 58.35 10.04 -8.62 -1.22 0
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128257 51036906 1 ClO2N7H24C27 AB2C7D24E27 59.5 5.81 -8.68 -0.96 0
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128258 51036907 1 ClO2N7H24C27 AB2C7D24E27 57.77 10.93 -8.62 -1.2 0
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128259 51036908 1 O2N3F6C20H23 A2B3C6D20E23 -394.12 9.57 -9.52 -1.22 0
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128260 51036909 1 O2N3F6C22H27 A2B3C6D22E27 -414.93 3.26 -9.27 -1.53 0
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128261 51036910 1 O2N3F6C20H23 A2B3C6D20E23 -394.11 2.8 -9.36 -1.4 0
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128262 51036930 1 FSN4O5C30H41 ABC4D5E30F41 -241.24 8.74 -8.97 -1.14 0
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128263 51036931 1 FSN4O5C30H43 ABC4D5E30F43 -249.51 7.73 -8.85 -1.11 0
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128264 51036932 1 FSN4O5C28H39 ABC4D5E28F39 -237.11 8.66 -8.91 -1.11 0
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128265 51036951 1 ON7H21C25 AB7C21D25 122.43 3.41 -8.58 -0.94 0
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128266 51036952 1 ON5H19C23 AB5C19D23 80.14 3.02 -8.47 -0.72 0
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128267 51036991 1 N2O2H12C13 A2B2C12D13 -31.35 6.45 -9.0 -0.6 0
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128268 51037037 1 N5O8C47H63 A5B8C47D63 -304.66 5.42 -8.69 -0.69 0
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128269 51037078 1 ClOSN3H16C21 ABCD3E16F21 60.09 4.49 -8.7 -1.28 0
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128270 51037079 1 ClOSN3H18C22 ABCD3E18F22 58.45 5.35 -8.78 -1.2 0
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128271 51037083 2 O6N9C30H46 A6B9C30D46 -447.4 13.29 -8.54 -0.43 0
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128272 51037084 1 O9N16C41H68 A9B16C41D68 -401.22 8.79 -9.19 -0.09 0
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128273 51037298 1 HIC2 ABC2 74.47 0.0 -10.1 -0.96 0
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128274 51037360 1 N4O4C29H34 A4B4C29D34 -156.93 1.01 -8.56 -0.64 0
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128275 51037397 1 ClSN4O4C26H29 ABC4D4E26F29 -76.27 3.58 -9.24 -1.25 0
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128276 51037398 1 FSN4O4C23H25 ABC4D4E23F25 -124.49 2.18 -8.72 -0.97 0
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128277 51037399 1 FSO2N7C28H34 ABC2D7E28F34 -4.42 7.76 -8.77 -1.04 0
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128278 51037400 1 ClSN4O4C25H29 ABC4D4E25F29 -96.86 9.04 -9.23 -0.91 0
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128279 51037401 1 FSO2N7C26H30 ABC2D7E26F30 10.09 10.18 -8.68 -1.14 0
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128280 51037452 1 FO2N4H13C16 AB2C4D13E16 21.02 4.69 -9.51 -1.73 0
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128281 51037549 1 ON5C20H25 AB5C20D25 6.65 1.76 -8.19 -0.53 0
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128282 51037646 1 OF4N5H15C20 AB4C5D15E20 -97.13 4.06 -9.62 -1.57 0
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128283 51037659 1 BrClON6H18C19 ABCD6E18F19 69.56 3.04 -8.93 -1.61 0
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128284 51037660 1 OBr2N6H18C19 AB2C6D18E19 74.56 7.46 -8.76 -1.37 0
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128285 51037661 1 FON6H19C21 ABC6D19E21 83.46 2.89 -9.0 -1.42 0
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128286 51037662 1 ClON6H19C21 ABC6D19E21 119.78 2.19 -8.85 -1.51 0
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128287 51037663 1 BrClO3N10H24C27 ABC3D10E24F27 183.99 13.72 -7.99 -1.74 1
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128288 51037664 1 ClO3N10H24C27 AB3C10D24E27 203.29 15.33 0.0 0.0 0
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128289 51037665 1 BrClO4N10H26C27 ABC4D10E26F27 106.98 16.9 -8.27 -2.45 1
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128290 51037666 1 ClO4N10H26C27 AB4C10D26E27 120.18 4.85 0.0 0.0 0
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128291 51037740 1 N4O7C12H20 A4B7C12D20 -328.93 9.51 -10.44 -0.33 0
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128292 51037768 1 FN5O5C31H42 AB5C5D31E42 -249.93 6.78 -8.96 -1.18 0
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128293 51037802 1 SO5N7C27H31 AB5C7D27E31 -76.16 3.52 -8.6 -0.59 0