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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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133311 51507193 1 BrNSO5H16C19 ABCD5E16F19 -147.14 3.04 -8.82 -0.88 0
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133312 51507338 1 NSO4C23H27 ABC4D23E27 -173.75 3.6 -8.91 -0.72 0
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133313 51507339 1 NSO4C23H27 ABC4D23E27 -173.97 5.61 -9.02 -0.82 -1
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133314 51508084 1 FSO2N6H16C23 ABC2D6E16F23 35.63 4.09 0.0 0.0 1
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133315 51508085 1 OSN4C24H27 ABC4D24E27 55.62 4.65 0.0 0.0 0
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133316 51508086 1 OSN4C24H26 ABC4D24E26 32.82 4.3 -8.6 -1.01 1
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133317 51508087 1 OSN6C25H27 ABC6D25E27 105.98 1.25 0.0 0.0 0
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133318 51508088 1 OSN6C25H26 ABC6D25E26 82.43 4.75 -8.35 -1.17 1
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133319 51508089 1 OSN5C24H26 ABC5D24E26 95.7 17.04 0.0 0.0 0
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133320 51508129 1 O2F3N4H21C24 A2B3C4D21E24 -123.03 6.29 -9.01 -0.7 -1
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133321 51508642 1 NO4H12C18 AB4C12D18 -56.32 4.14 0.0 0.0 1
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133322 51508661 1 ClON6C23H24 ABC6D23E24 139.24 15.84 0.0 0.0 1
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133323 51508662 1 O2N5C24H30 A2B5C24D30 9.24 6.77 0.0 0.0 0
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133324 51508905 1 FSN3O4H22C25 ABC3D4E22F25 -125.82 2.8 -8.79 -0.51 0
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133325 51508906 1 FN3O4C27H30 AB3C4D27E30 -170.85 7.25 -8.51 -0.45 0
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133326 51508907 1 FN3O4C27H30 AB3C4D27E30 -177.73 5.96 -8.45 -0.35 0
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133327 51508908 1 FN3O4H26C28 AB3C4D26E28 -130.14 6.81 -8.38 -0.42 -1
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133328 51509028 1 FSN2O4C19H20 ABC2D4E19F20 -112.3 15.0 0.0 0.0 -1
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133329 51509285 1 S2O3N6H19C21 A2B3C6D19E21 30.36 8.98 0.0 0.0 0
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133330 51509718 1 N3O5H19C24 A3B5C19D24 -108.69 0.97 -8.75 -0.72 0
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133331 51510630 1 ClSO3N4C25H37 ABC3D4E25F37 -126.86 4.95 -8.87 -0.72 -1
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133332 51510631 1 OS2N7C18H18 AB2C7D18E18 145.27 4.16 0.0 0.0 -1
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133333 51510632 1 SO2N7C19H20 AB2C7D19E20 108.11 11.24 0.0 0.0 -1
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133334 51510633 1 OS2N7C20H20 AB2C7D20E20 181.24 8.56 0.0 0.0 0
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133335 51510634 1 FSO2N4H19C22 ABC2D4E19F22 -4.86 5.16 -9.02 -1.0 0
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133336 51510643 1 SO3N5C27H43 AB3C5D27E43 -130.3 6.32 -8.89 -0.48 0
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133337 51510644 1 ClO3N6C25H41 AB3C6D25E41 -128.39 5.23 -8.81 0.02 0
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133338 51510645 1 N3O4C23H29 A3B4C23D29 -146.76 5.97 -8.54 -0.26 0
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133339 51510679 1 OSN4C22H36 ABC4D22E36 -48.03 4.16 -8.45 -0.09 1
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133340 51510757 1 O2N3C20H32 A2B3C20D32 -39.1 1.86 0.0 0.0 1
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133341 51510759 1 ON4C21H35 AB4C21D35 -27.57 7.48 0.0 0.0 2
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133342 51510864 1 SO2N5C19H33 AB2C5D19E33 21.62 36.68 -3.57 -1.4 0
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133343 51511102 1 O3N4C21H22 A3B4C21D22 -55.83 2.22 -8.96 -0.22 1
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133344 51511565 1 ON3C10H18 AB3C10D18 -35.77 4.32 0.0 0.0 -1
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133345 51511725 1 ON4C20H21 AB4C20D21 71.55 8.92 0.0 0.0 0
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133346 51511866 1 SO2N5C29H45 AB2C5D29E45 -95.02 2.3 -9.08 -0.62 0
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133347 51512218 1 N3O5C21H21 A3B5C21D21 -158.79 5.3 -9.27 -0.71 0
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133348 51512523 2 N2O3C12H14 A2B3C12D14 -208.36 6.76 -9.09 -0.76 -1
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133349 51512958 1 OSN4C20H21 ABC4D20E21 62.16 6.05 0.0 0.0 -1
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133350 51512959 1 OSN4C20H21 ABC4D20E21 62.95 4.94 0.0 0.0 -1
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133351 51512960 1 OSF2N4H17C19 ABC2D4E17F19 -25.56 3.59 0.0 0.0 1
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133352 51512961 1 S2N3O3C21H34 A2B3C3D21E34 -158.43 4.98 0.0 0.0 1
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133353 51513932 1 ON3C25H30 AB3C25D30 24.76 3.43 0.0 0.0 1
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133354 51513933 1 ON3C25H30 AB3C25D30 34.01 7.62 0.0 0.0 -1
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133355 51513934 1 S2O3N6H17C18 A2B3C6D17E18 12.57 3.76 0.0 0.0 0
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133356 51514580 1 N3O4H27C28 A3B4C27D28 -50.85 3.94 -8.89 -1.4 -1
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133357 51515192 1 SN3O4C21H32 AB3C4D21E32 -149.7 9.45 0.0 0.0 -1
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133358 51515205 1 SCl2O2N5H18C20 AB2C2D5E18F20 26.18 7.36 0.0 0.0 -1
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133359 51515287 1 OSN4C21H23 ABC4D21E23 58.71 3.37 0.0 0.0 1
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133360 51515349 1 SN4C16H21 AB4C16D21 89.51 11.49 0.0 0.0 1
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133361 51515374 1 O2N4C22H29 A2B4C22D29 -13.49 17.73 0.0 0.0 0
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133362 51515375 2 ON2C11H14 AB2C11D14 -37.67 1.07 -7.88 -0.55 1
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133363 51515376 1 O2N4C22H29 A2B4C22D29 -33.25 9.99 0.0 0.0 -1
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133364 51515811 1 SN2O4H11C18 AB2C4D11E18 -21.23 8.15 0.0 0.0 -1
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133365 51515886 1 FSO2N4H14C17 ABC2D4E14F17 -18.44 3.92 0.0 0.0 -1
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133366 51516331 1 SO2F3N3H15C22 AB2C3D3E15F22 -118.04 10.48 0.0 0.0 0
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133367 51516391 1 O4N6C13H16 A4B6C13D16 -72.51 1.04 -8.1 -0.45 0
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133368 51516491 1 N2C27H34 A2B27C34 0.75 0.66 -8.1 -0.16 -1
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133369 51516497 1 SN3O4C20H24 AB3C4D20E24 -110.66 2.66 0.0 0.0 0
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133370 51516733 1 O2N5C23H25 A2B5C23D25 62.58 6.29 -8.69 -0.7 0
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133371 51516736 1 SO3N4C23H26 AB3C4D23E26 -74.66 1.97 -8.94 -0.6 -1
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133372 51516915 1 ClO2N5H9C12 AB2C5D9E12 40.47 2.81 0.0 0.0 -1
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133373 51516993 1 O3N4C13H13 A3B4C13D13 -21.91 17.54 0.0 0.0 1
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133374 51517114 1 ClON4C18H18 ABC4D18E18 65.53 2.96 0.0 0.0 -1
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133375 51517581 1 O3N4C15H15 A3B4C15D15 -10.77 6.05 0.0 0.0 -1
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133376 51517618 1 ClO3N5H11C19 AB3C5D11E19 47.01 8.54 0.0 0.0 -1
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133377 51517739 1 N3O4C23H24 A3B4C23D24 -64.53 6.32 0.0 0.0 1
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133378 51517740 1 N3C14H14 A3B14C14 70.62 0.96 0.0 0.0 -1
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133379 51517741 1 N2O3C13H13 A2B3C13D13 -79.53 4.74 0.0 0.0 1
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133380 51518025 1 S2O4N5H12C17 A2B4C5D12E17 43.63 11.99 0.0 0.0 -2
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133381 51518123 1 S2N4O4H16C23 A2B4C4D16E23 -32.36 3.32 -8.87 -1.37 0
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133382 51518281 1 SN3O7C22H29 AB3C7D22E29 -281.52 11.46 -9.01 -0.58 0
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133383 51518282 1 N3O7C22H23 A3B7C22D23 -247.88 5.66 -8.76 -0.58 -1
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133384 51518658 1 NSO3C15H20 ABC3D15E20 -113.15 4.64 0.0 0.0 0
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133385 51518771 1 ClO2S2N3H20C23 AB2C2D3E20F23 -0.16 6.66 -9.03 -1.34 1
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133386 51519167 1 N2O3C20H21 A2B3C20D21 -32.74 13.34 0.0 0.0 -1
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133387 51519435 1 N3O3C20H20 A3B3C20D20 -66.39 4.71 0.0 0.0 -1
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133388 51519464 1 FN3O4H19C20 AB3C4D19E20 -122.24 6.2 0.0 0.0 0
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133389 51519573 1 FN4O4H19C20 AB4C4D19E20 -159.88 4.94 -8.76 -0.28 -1
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133390 51519574 1 FN4O4H18C20 AB4C4D18E20 -138.3 7.1 0.0 0.0 0
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133391 51519683 2 N2O2C9H12 A2B2C9D12 -166.18 3.46 -8.91 -0.43 -1
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133392 51519684 1 N4O4C18H23 A4B4C18D23 -150.65 3.85 0.0 0.0 0
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133393 51519685 2 N2O2C9H12 A2B2C9D12 -164.47 8.23 -8.77 -0.28 0
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133394 51520326 1 FN2O3C18H21 AB2C3D18E21 -138.63 3.19 -9.29 -0.25 -1
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133395 51520327 1 FN2O3C18H20 AB2C3D18E20 -86.86 3.36 0.0 0.0 -2
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133396 51520601 1 ClNSO4H10C14 ABCD4E10F14 -61.11 6.55 -9.71 -1.44 0
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133397 51520753 1 SO2N3C24H27 AB2C3D24E27 -20.44 7.27 -8.52 -0.72 -1
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133398 51520754 1 NSO8H18C19 ABC8D18E19 -228.09 6.66 0.0 0.0 -1
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133399 51520755 1 NSO8C20H20 ABC8D20E20 -223.53 9.68 0.0 0.0 -1
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133400 51521264 1 O4C20H33 A4B20C33 -179.29 2.33 0.0 0.0 0
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133401 51521265 2 O2C10H17 A2B10C17 -233.06 4.98 -10.13 0.02 1
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133402 51521266 1 ON3H16C22 AB3C16D22 75.26 2.69 0.0 0.0 0
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133403 51521288 1 S2O3N5C16H17 A2B3C5D16E17 -37.29 8.97 -8.54 -1.2 0
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133404 51521826 1 O12H20C21 A12B20C21 -442.12 10.97 -8.98 -1.52 -1
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133405 51522126 1 BrN2O3H12C15 AB2C3D12E15 -17.14 7.13 0.0 0.0 0
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133406 51522176 1 ClN3O3H16C21 AB3C3D16E21 -33.77 6.34 -8.59 -0.93 -1
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133407 51522177 1 N3O6C21H22 A3B6C21D22 -138.36 6.08 0.0 0.0 -1
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133408 51522269 1 NO3H14C17 AB3C14D17 -29.97 5.73 0.0 0.0 -1
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133409 51522358 1 NSO3H18C21 ABC3D18E21 -12.26 6.46 0.0 0.0 -1
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133410 51522967 1 N2O6H23C24 A2B6C23D24 -138.45 2.9 0.0 0.0 1