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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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381531 134972299 1 PN3O13C18H31 AB3C13D18E31 -606.54 5.46 0.0 0.0 0
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381532 134972300 1 PN3O13C18H30 AB3C13D18E30 -633.26 9.31 -10.03 -0.57 0
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381533 134972301 2 NSiO3C21H27 ABC3D21E27 -281.32 4.41 -8.97 -0.06 0
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381534 134972302 1 NSiO3C24H33 ABC3D24E33 -119.97 2.69 -8.68 -0.06 -1
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381535 134972303 1 N2H7C8 A2B7C8 99.42 1.88 0.0 0.0 0
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381536 134972304 1 BrO2C17H17 AB2C17D17 -47.03 3.61 -8.66 -0.32 0
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381537 134972305 1 BrNO2C16H16 ABC2D16E16 -38.29 5.65 -8.99 -0.5 0
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381538 134972306 1 O5C19H26 A5B19C26 -202.6 1.5 -9.58 -0.37 0
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381539 134972307 1 O4C17H24 A4B17C24 -156.11 4.22 -9.54 0.17 0
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381540 134972308 1 O4C9H14 A4B9C14 -172.04 4.96 -10.47 0.3 0
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381541 134972309 1 NCl3O11C43H44 AB3C11D43E44 -360.43 4.96 -9.34 -0.57 0
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381542 134972310 1 BrOF5H8C10 ABC5D8E10 -234.92 4.7 -10.31 -1.62 0
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381543 134972311 1 NF3O8C27H34 AB3C8D27E34 -453.86 3.51 -9.83 -0.48 0
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381544 134972312 1 InCl2C4H7 AB2C4D7 -44.15 3.78 -9.96 -1.47 0
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381545 134972313 1 NO5C16H19 AB5C16D19 -207.17 1.02 -8.49 0.22 0
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381546 134972314 1 N2O5C14H20 A2B5C14D20 -155.55 2.15 -10.09 -0.76 0
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381547 134972315 1 ClSiO2C38H43 ABC2D38E43 -63.77 3.07 -8.6 -0.11 0
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381548 134972316 2 NO2H6C9 AB2C6D9 -65.49 3.88 -9.42 -2.16 0
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381549 134972317 1 O26C39H54 A26B39C54 -1167.47 4.23 -9.73 0.32 0
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381550 134972319 1 O3C7H8 A3B7C8 -99.92 5.01 -9.74 -0.84 0
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381551 134972320 1 SO3C19H20 AB3C19D20 27.01 4.81 -8.24 -0.64 0
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381553 134972323 1 SiO2C13H26 AB2C13D26 -125.65 1.36 -8.84 0.98 0
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381554 134972324 1 NOSC11H13 ABCD11E13 -9.23 2.04 -8.9 -0.26 0
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381555 134972325 2 SiO2C9H19 AB2C9D19 -364.67 2.47 -8.73 0.91 0
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381556 134972327 1 N3H7C11 A3B7C11 104.91 7.09 -9.17 -1.14 0
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381557 134972329 1 N2O5C27H32 A2B5C27D32 -76.6 1.93 -9.17 0.05 0
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381558 134972330 1 SO7C15H20 AB7C15D20 -297.46 5.13 -10.29 -0.71 0
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381559 134972331 1 O5C17H22 A5B17C22 -163.4 3.0 -8.69 -0.06 0
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381560 134972333 1 NO8C28H41 AB8C28D41 -345.88 6.01 -8.99 -0.02 0
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381561 134972334 1 O2C15H24 A2B15C24 -107.29 1.79 -9.26 0.94 0
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381562 134972335 1 NSSiO3C23H33 ABCD3E23F33 -141.05 5.98 -9.15 -0.42 0
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381563 134972339 1 SiO6C16H30 AB6C16D30 -320.88 1.45 -8.8 -0.3 0
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381565 134972341 1 SO9C16H24 AB9C16D24 -425.75 0.88 -9.07 0.18 0
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381567 134972346 1 O5H16C20 A5B16C20 -89.59 2.96 -8.56 -0.83 0
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381568 134972347 2 NO2C6H10 AB2C6D10 -170.67 2.61 -9.39 -0.2 0
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381571 134972350 1 SiO4C27H44 AB4C27D44 -193.64 1.9 -8.68 0.32 0
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381572 134972351 1 OSC10H20 ABC10D20 -91.81 3.57 -8.64 0.85 0
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381573 134972352 1 O3C12H16 A3B12C16 -143.16 4.22 -9.57 -0.24 0
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381574 134972353 2 NOC9H12 ABC9D12 -56.44 1.07 -8.35 -1.69 0
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381575 134972354 1 N2O3C20H20 A2B3C20D20 -37.29 0.94 -8.47 -1.79 0
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381576 134972356 1 N3O4H15C22 A3B4C15D22 25.77 8.93 -8.77 -2.2 0
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381577 134972357 1 N2O3H22C25 A2B3C22D25 -22.16 2.85 -7.81 -1.72 0
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381578 134972359 1 SnO2C21H36 AB2C21D36 -98.88 6.13 -9.45 -0.78 0
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381579 134972360 2 NC5H6 AB5C6 95.11 4.57 -8.76 -0.18 0
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381580 134972361 2 OC5H9 AB5C9 -116.7 2.89 -9.93 1.11 0
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381581 134972362 1 OF3H9C10 AB3C9D10 -113.92 3.22 -9.81 -0.2 0
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381582 134972363 3 OC6H8 AB6C8 -132.56 2.16 -9.55 0.02 0
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381584 134972365 1 N2O5C14H20 A2B5C14D20 -154.57 2.95 -10.08 -0.7 0
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381585 134972367 1 SiO5C27H40 AB5C27D40 -223.31 2.44 -8.96 0.19 0
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381586 134972369 1 NSO4H17C19 ABC4D17E19 -104.65 4.38 -8.86 -1.49 0
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381587 134972370 1 ClN2O4C31H33 AB2C4D31E33 -79.24 3.72 -8.6 -0.59 0
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381588 134972371 1 ClNO4C30H36 ABC4D30E36 -137.28 3.82 -8.35 -0.03 0
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381589 134972372 1 ClNO4C30H36 ABC4D30E36 -136.05 4.51 -8.25 -0.12 0
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381590 134972373 1 ClNO3C26H26 ABC3D26E26 -65.73 3.45 -8.35 -0.26 0
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381591 134972374 1 ClNO3C26H26 ABC3D26E26 -63.9 2.31 -8.52 -0.32 0
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381592 134972375 1 ON3C28H37 AB3C28D37 -6.44 3.22 -8.86 0.08 0
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381593 134972376 1 O2C13H14 A2B13C14 -20.75 2.19 -9.53 0.22 0
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381594 134972377 1 NO3C8H13 AB3C8D13 -83.24 0.78 -10.19 0.31 0
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381595 134972378 1 O3C28H30 A3B28C30 -38.45 0.91 -9.26 0.23 0
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381596 134972379 2 O2C18H19 A2B18C19 -53.29 2.53 -9.21 0.21 0
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381597 134972380 1 NSO3H21C24 ABC3D21E24 -38.93 6.3 -8.83 -0.78 0
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381598 134972382 1 N3O3C16H19 A3B3C16D19 -91.92 4.06 -8.86 -0.38 0
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381599 134972384 1 NSO4H21C24 ABC4D21E24 -66.01 7.41 -8.22 -0.71 0
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381600 134972386 1 NO2C16H23 AB2C16D23 -67.89 3.1 -8.55 0.33 0
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381601 134972389 2 O4H9C13 A4B9C13 -276.41 6.48 -10.13 -1.56 0
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381602 134972390 2 OH7C8 AB7C8 137.61 1.49 -8.68 -0.62 0
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381603 134972391 1 O3H10C11 A3B10C11 -26.1 5.33 -10.52 -0.89 0
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381604 134972392 1 SiO2C30H32 AB2C30D32 -46.16 1.71 -8.86 -0.08 0
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381605 134972394 2 NO2H6C9 AB2C6D9 -65.86 2.19 -9.42 -2.14 0
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381606 134972395 1 O3H10C19 A3B10C19 32.81 1.13 -9.81 -2.02 0
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381607 134972396 3 OH4C7 AB4C7 -9.51 3.56 -9.92 -1.92 2
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381608 134972397 1 N2O12C47H48 A2B12C47D48 -428.36 9.26 -7.08 -1.84 0
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381609 134972398 1 N2O12H46C47 A2B12C46D47 -424.19 5.34 -8.87 -2.03 0
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381610 134972399 1 O10C25H36 A10B25C36 -358.48 6.57 -9.91 -1.36 0
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381611 134972400 3 O4H12C13 A4B12C13 -380.4 3.92 -8.7 -1.94 0