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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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11320 113922 1 OSN2C19H20 ABC2D19E20 8.74 1.86 -8.29 -0.41 0
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11321 113936 1 ClO3C10H13 AB3C10D13 -124.8 1.58 -9.06 -0.21 0
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11322 114000 1 ON3C18H27 AB3C18D27 -8.2 2.27 -8.76 -0.63 0
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11323 114001 1 N2O2C13H14 A2B2C13D14 -27.46 5.32 -9.14 -1.73 0
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11324 114009 1 NSO3C28H39 ABC3D28E39 -121.54 4.19 -8.14 -0.47 0
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11325 114015 1 IN2O2C13H19 AB2C2D13E19 -19.75 35.84 -5.99 -1.68 0
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11326 114028 1 BrSN3C14H18 ABC3D14E18 71.21 2.24 -8.47 -0.63 0
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11327 114031 1 I2N2C11H20 A2B2C11D20 36.94 16.04 -7.39 -1.68 0
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11328 114042 1 NC12H23 AB12C23 -29.21 1.04 -8.28 1.53 0
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11329 114068 1 ClNSO3C12H20 ABCD3E12F20 -143.68 5.14 -9.28 -0.73 0
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11330 114069 1 NSO3C12H19 ABC3D12E19 -103.33 5.52 -8.92 -0.78 0
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11331 114100 1 ON3Cl5C15H22 AB3C5D15E22 -121.48 4.0 -9.02 -0.98 0
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11332 114101 3 ClNC5H6 ABC5D6 13.44 6.66 -8.85 -0.78 0
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11333 114102 1 PN2S2O4C8H17 AB2C2D4E8F17 -261.56 5.67 -9.41 -0.81 0
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11334 114109 1 PSN2C4O4H15 ABC2D4E4F15 -255.96 2.32 -9.07 -0.36 0
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11335 114118 1 ClINO3H11C20 ABCD3E11F20 -16.69 4.97 -8.85 -1.49 0
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11337 114130 1 ClNH18C19 ABC18D19 58.55 8.92 -9.25 -1.0 0
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11338 114131 1 NH18C19 AB18C19 75.51 2.18 0.0 0.0 1
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11339 114149 2 SN2C13H15 AB2C13D15 72.36 4.01 -8.57 -0.6 0
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11340 114183 1 NO9C25H35 AB9C25D35 -336.12 4.76 -8.77 -0.19 0
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11341 114184 1 NO3C21H29 AB3C21D29 -136.08 1.87 -8.56 0.33 0
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11343 114188 1 NOC23H33 ABC23D33 -46.33 4.0 -8.43 0.44 0
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11344 114204 1 ClNO3C25H30 ABC3D25E30 -119.52 5.14 -8.57 -0.26 0
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11345 114269 1 N2F3H9C10 A2B3C9D10 -123.83 7.85 -9.37 -0.56 0
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11346 114270 1 NSSeO4C13H17 ABCD4E13F17 -85.15 34.28 -7.99 -3.15 0
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11347 114273 1 NSSeO3C12H15 ABCD3E12F15 -95.39 4.01 -8.06 -0.13 0
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11348 114296 1 ClNSO2H9C10 ABCD2E9F10 -52.38 5.38 0.0 0.0 1
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11349 114306 1 FS3N9O10H22C27 AB3C9D10E22F27 -273.1 8.9 -9.43 -2.26 0
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11350 114313 1 ClSN2C22H31 ABC2D22E31 -14.61 4.5 -7.53 -0.06 0
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11351 114330 1 SN2C19H22 AB2C19D22 49.27 1.19 -8.08 -0.15 0
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11353 114395 1 ClNOC20H26 ABCD20E26 -44.13 0.45 -8.6 0.02 0
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11354 114404 1 NC19H23 AB19C23 31.27 1.36 -8.91 0.37 0
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11355 114420 1 ClNOC19H24 ABCD19E24 -31.17 1.89 -8.88 0.06 0
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11356 114488 2 O2C8H13 A2B8C13 -185.74 3.61 -10.56 -0.1 0
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11357 114496 1 O3C10H16 A3B10C16 -150.9 1.87 -10.35 1.92 0
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11358 114499 1 N2O6C29H38 A2B6C29D38 -164.33 5.71 -8.48 0.4 0
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11359 114506 1 OC20H36 AB20C36 -117.84 2.4 -9.93 2.95 0
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11360 114631 1 N2O5C23H28 A2B5C23D28 -194.04 5.15 -9.76 -0.22 0
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11361 114684 1 O9H20C21 A9B20C21 -312.07 8.95 -9.25 -1.77 0
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11363 114732 2 Cl2H2C5 A2B2C5 6.61 1.34 -9.34 -1.46 0
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11364 114772 1 NO3C8H11 AB3C8D11 -112.64 1.56 -8.8 -0.02 0
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11365 114773 1 NO4C25H37 AB4C25D37 -140.07 8.03 -8.35 0.27 0
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11366 114789 1 CH4 AB4 -12.29 0.0 -13.67 6.01 0
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11367 114790 1 AlH4O4 AB4C4 -81.01 0.49 0.0 0.0 -1
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11369 114798 1 N5C7H9 A5B7C9 69.86 4.88 -8.75 -0.91 0
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11370 114799 1 O8H16C17 A8B16C17 -288.67 10.09 -9.33 -1.25 0
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11371 114812 1 SN2O3C8H12 AB2C3D8E12 -112.39 4.29 -9.43 -0.23 0
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11372 114815 1 ClO6C24H27 AB6C24D27 -204.81 6.48 -8.33 -0.85 0
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11373 114817 1 ClON2C17H25 ABC2D17E25 -90.57 6.68 -8.79 -0.12 0
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11374 114838 2 Cl2H2C5 A2B2C5 15.31 0.0 -9.01 -1.46 0
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11376 114849 1 O2N3C4H9 A2B3C4D9 -48.71 0.99 -9.98 -0.63 0
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11377 114851 1 O7C16H16 A7B16C16 -254.74 4.83 -8.75 -0.49 0
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11378 114859 1 N6O9H10C14 A6B9C10D14 62.92 4.5 -10.71 -2.72 0
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11379 114862 1 O3C18H20 A3B18C20 -96.29 6.8 -9.64 -1.66 0
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11380 114865 1 O4C21H34 A4B21C34 -196.08 2.55 -9.61 0.5 0
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11381 114869 1 SCl2N5C9H9 AB2C5D9E9 63.61 6.08 -9.11 -2.08 0
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11382 114900 1 OCl3H7C13 AB3C7D13 -14.72 1.83 -9.26 -1.25 0
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11383 114904 1 N3O4C26H31 A3B4C26D31 -143.73 4.66 -8.81 -0.14 0
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11384 114908 1 H3Cl5C10 A3B5C10 3.89 0.98 -9.5 -1.63 0
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11385 114911 1 NC17H17 AB17C17 41.56 1.77 -8.54 -0.22 0
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11386 114912 1 NO7C18H27 AB7C18D27 -305.45 3.23 -9.38 0.23 0
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11387 114916 1 O3C28H46 A3B28C46 -208.22 5.34 -9.38 2.4 0
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11388 114919 1 NO14C39H69 AB14C39D69 -706.59 10.4 -9.19 0.3 0
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11389 114922 1 O6C17H24 A6B17C24 -237.8 3.34 -9.84 0.6 0
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11390 114926 1 OC5N5H7 AB5C5D7 2.0 4.0 -9.13 -0.46 0
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11392 114940 1 SeH2 AB2 -2.81 1.32 -8.76 1.49 0
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11394 114957 1 N2O2C3H6 A2B2C3D6 -28.34 2.93 -9.75 0.03 0
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11395 114958 2 NSO3C12H14 ABC3D12E14 -215.64 5.22 -8.51 -1.23 0
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11396 114999 1 O7C28H36 A7B28C36 -281.89 6.15 -9.1 -0.14 0
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11397 115015 1 NS2C3O5H7 AB2C3D5E7 -208.43 5.25 -10.53 -1.92 0
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11398 115022 1 FeC3N3 AB3C3 147.07 1.96 0.0 0.0 0
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11399 115028 1 NO2C28H39 AB2C28D39 -94.82 3.63 -7.94 0.3 0
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11400 115029 1 PN5O7C14H18 AB5C7D14E18 -301.18 5.64 -9.51 -1.03 0
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11401 115033 1 NO3H11C15 AB3C11D15 -69.76 3.86 -8.97 -0.98 0
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11402 115044 1 N5O5C35H41 A5B5C35D41 -160.65 6.24 -8.42 -0.03 0
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11403 115045 2 O3C10H16 A3B10C16 -195.58 3.22 -8.91 1.0 0
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11404 115051 1 ClO3Br4H17C18 AB3C4D17E18 -68.27 0.62 -9.28 -0.73 0
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11405 115057 1 ClO6C43H55 AB6C43D55 -250.72 4.94 -9.68 -0.8 0
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11406 115090 1 FN2O3H11C12 AB2C3D11E12 -151.55 3.4 -9.35 -0.79 0
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11407 115091 1 S4O17N21C59H93 A4B17C21D59E93 -632.53 9.03 -9.07 -0.54 0
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11408 115097 1 N2C13H18 A2B13C18 -7.58 2.96 -8.7 0.52 0
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11409 115116 1 O3C18H22 A3B18C22 -131.71 4.6 -8.87 0.17 0
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11410 115119 2 NSeC2H6 ABC2D6 10.5 2.94 -7.86 -1.74 0
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11413 115146 1 N2O2C9H20 A2B2C9D20 -91.81 12.81 -8.06 -0.2 0
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11414 115147 1 N2O2C9H21 A2B2C9D21 -78.03 5.31 0.0 0.0 1
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11415 115148 1 FeNSO4H5 ABCD4E5 -181.36 5.91 -8.07 0.36 0
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11416 115150 2 N2O2C6H9 A2B2C6D9 -176.09 0.43 -9.79 -0.46 0
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11417 115151 1 Te A 78.49 0.0 -8.52 -2.91 4
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11418 115152 3 NOC3H3 ABC3D3 -80.64 3.86 -8.6 -0.49 0
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11419 115153 2 NOC8H8 ABC8D8 -21.89 7.38 -8.6 -0.35 0
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11420 115170 1 SN4O7C12H20 AB4C7D12E20 -322.04 7.69 -9.42 -0.32 0
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11421 115172 1 ClON3C7H20 ABC3D7E20 -36.06 0.66 -9.08 0.64 0
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11422 115229 1 ClO3C5H5 AB3C5D5 -118.82 4.02 -11.28 -1.44 0
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11423 115274 1 O4H12C13 A4B12C13 -127.07 4.1 -8.88 -0.64 0
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11424 115347 1 NOSC8H11 ABCD8E11 -21.45 2.51 -8.59 -0.21 0
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11425 115348 1 IN2O2C13H15 AB2C2D13E15 -40.34 6.78 -8.44 -1.28 0
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11426 115368 1 SO2N4C23H30 AB2C4D23E30 -48.5 3.65 -8.4 -0.58 0
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11427 115378 1 NO3C12H17 AB3C12D17 -115.25 4.23 -9.2 -0.46 0
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11428 115398 1 NO7C29H45 AB7C29D45 -345.93 4.86 -9.62 -0.42 0
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11429 115409 1 NO6C17H23 AB6C17D23 -271.06 2.94 -9.3 -0.1 0