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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
Show
169316 75088821 1 N3O3C4H7 A3B3C4D7 -100.02 4.08 -10.58 -0.31 0
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169317 75088822 1 ON3C7H7 AB3C7D7 17.11 6.49 -9.51 -1.22 0
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169318 75088858 1 FON2H3C5 ABC2D3E5 -12.32 3.36 -10.51 -2.2 0
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169319 75088859 1 FON2H5C6 ABC2D5E6 -25.05 2.76 -10.32 -1.99 0
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169320 75088989 2 NOC4H6 ABC4D6 -62.81 3.25 -9.22 0.26 0
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169321 75089221 1 FNC10H12 ABC10D12 -19.58 3.26 -9.44 -0.06 0
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169322 75089222 1 FO2C7H11 AB2C7D11 -150.12 2.9 -10.16 0.07 0
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169323 75089223 1 FNO2C6H10 ABC2D6E10 -113.55 2.79 -9.13 1.32 0
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169324 75089495 2 NO2C4H7 AB2C4D7 -149.52 5.47 -9.74 0.33 0
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169325 75089496 1 ON3C11H13 AB3C11D13 64.93 7.15 -9.61 -0.68 0
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169326 75089497 1 NO3H7C11 AB3C7D11 -48.86 5.61 -10.12 -2.02 0
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169327 75089498 1 NO2C12H19 AB2C12D19 -27.47 4.32 -8.96 -1.07 0
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169328 75089853 1 N3O8C20H23 A3B8C20D23 -249.82 4.11 -9.2 -0.54 0
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169329 75090001 1 O2S6C25H30 A2B6C25D30 -5.01 1.78 -7.87 -1.56 0
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169331 75090056 1 O9C34H38 A9B34C38 -338.09 5.06 -9.92 -0.49 0
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169333 75090058 1 PN5O7C37H60 AB5C7D37E60 -328.12 4.35 -8.37 -0.28 0
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169334 75090059 1 ClN3O9H22C24 AB3C9D22E24 -275.12 5.01 -10.07 -1.58 0
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169335 75090060 1 NSO6C8H13 ABC6D8E13 -146.68 3.3 -8.84 -1.38 0
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169336 75090061 1 N2O7C19H24 A2B7C19D24 -275.16 4.56 -8.67 -0.62 0
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169337 75090062 2 NO4C8H9 AB4C8D9 -320.3 6.26 -9.13 -1.1 0
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169338 75090063 2 NO4C11H11 AB4C11D11 -284.91 9.08 -9.31 -0.9 0
Show
169339 75090079 1 ClO5C30H33 AB5C30D33 -176.36 6.31 -9.86 -0.56 0
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169341 75090081 1 ClO6C22H27 AB6C22D27 -248.02 3.95 -9.14 -0.71 0
Show
169342 75090199 1 O7C16H26 A7B16C26 -282.32 4.84 -8.52 0.48 0
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169343 75090200 2 O3C9H14 A3B9C14 -225.74 4.42 -8.68 0.31 0
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169344 75090411 2 NO2C12H18 AB2C12D18 -149.18 4.66 -9.22 -0.02 0
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169345 75090412 2 NO2C18H22 AB2C18D22 -98.35 5.23 -9.09 0.01 0
Show
169346 75090731 1 O11N14C55H74 A11B14C55D74 -389.76 9.36 -8.46 -0.81 1
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169347 75091009 1 NO4H48C52 AB4C48D52 34.58 2.29 0.0 0.0 0
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169348 75091010 1 N2O4C23H30 A2B4C23D30 -157.43 5.83 -8.61 -0.24 0
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169349 75091011 1 SN3O8C28H33 AB3C8D28E33 -184.25 9.8 -8.94 -1.54 0
Show
169350 75091017 1 BrClO3C21H22 ABC3D21E22 -139.47 5.47 -9.79 -1.06 0
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169351 75091405 1 NO7C34H39 AB7C34D39 -192.16 2.24 -8.64 -0.98 0
Show
169352 75091450 1 PO9C42H73 AB9C42D73 -539.2 5.09 -8.73 -0.78 0
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169353 75091456 1 BrON3C17H18 ABC3D17E18 24.32 7.03 -9.09 -0.14 0
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169354 75091457 1 O2N3C18H21 A2B3C18D21 -21.42 2.62 -8.67 -0.04 0
Show
169355 75091615 1 ClN2F5O12H30C31 AB2C5D12E30F31 -722.96 4.6 -9.87 -1.24 0
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169356 75092446 1 O3N5C24H29 A3B5C24D29 -52.89 2.33 -9.03 -0.64 0
Show
169357 75092505 1 N5O5C14H15 A5B5C14D15 -118.56 4.0 -8.72 -0.52 0
Show
169358 75092506 1 SO4N7C28H31 AB4C7D28E31 10.39 3.32 -9.27 -1.13 0
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169359 75092507 1 O8N9C28H43 A8B9C28D43 -337.23 9.99 -9.42 -0.47 0
Show
169360 75092544 1 PSN6O10C22H35 ABC6D10E22F35 -434.32 10.78 -9.68 -0.99 0
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169361 75092545 1 FSN8C24H33 ABC8D24E33 64.62 6.85 -8.35 -0.43 0
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169362 75092912 1 NO7C22H33 AB7C22D33 -333.58 5.53 -9.12 -0.62 0
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169363 75093153 1 Si3O4N5C35H59 A3B4C5D35E59 -259.84 2.1 -8.39 -0.55 0
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169364 75093154 1 FO2N4C11H13 AB2C4D11E13 -89.17 4.22 -8.61 -0.24 0
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169365 75093155 1 F2O2N4C11H12 A2B2C4D11E12 -128.42 4.14 -8.64 -0.45 0
Show
169366 75093156 1 FO3N4C11H13 AB3C4D11E13 -128.29 2.41 -8.67 -0.6 0
Show
169367 75093157 1 F2O2N4C11H12 A2B2C4D11E12 -130.68 1.61 -8.72 -0.66 0
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169368 75093158 1 F2O2N4C11H12 A2B2C4D11E12 -131.02 2.76 -8.56 -0.43 0
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169369 75093392 1 ClOSN3C11H14 ABCD3E11F14 16.82 9.52 -9.85 -0.85 0
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169370 75093669 1 S2O4C33H52 A2B4C33D52 -110.51 5.03 -9.19 -0.86 0
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169371 75093670 1 F3N4O4C27H29 A3B4C4D27E29 -171.2 6.52 -8.52 -0.42 0
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169372 75093925 1 N9O10F17C33H36 A9B10C17D33E36 -1180.64 6.51 -10.2 -0.65 0
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169373 75093995 1 NSiO5C21H31 ABC5D21E31 -261.16 5.51 -8.91 -1.52 0
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169374 75094971 1 NO3C8H13 AB3C8D13 -136.04 5.64 -9.82 -0.48 0
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169375 75096430 1 NO2C16H19 AB2C16D19 -32.31 3.7 -9.68 -0.79 0
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169376 75096761 1 ClF3N4O4H18C20 AB3C4D4E18F20 -269.05 6.43 -9.43 -1.2 0
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169377 75096762 1 F3N4O5C21H21 A3B4C5D21E21 -292.11 8.56 -8.39 -0.97 0
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169378 75096879 1 O3C11H16 A3B11C16 -114.83 2.02 -10.03 -0.78 0
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169379 75096958 2 NOC15H18 ABC15D18 8.27 18.7 -8.21 -1.33 0
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169380 75096959 4 OC9H10 AB9C10 -92.05 12.29 -8.05 -1.1 0
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169381 75097198 1 NC13H15 AB13C15 35.02 2.68 -8.03 0.02 0
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169382 75097733 1 ON2H16C19 AB2C16D19 63.67 4.44 -9.26 -0.44 0
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169383 75097795 1 NO6C19H25 AB6C19D25 -212.44 3.56 -8.97 -1.71 0
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169384 75097914 1 SO2C19H26 AB2C19D26 -27.5 4.69 -8.19 0.08 0
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169385 75097943 1 ClNO9H24C29 ABC9D24E29 -295.02 5.61 -9.85 -1.35 0
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169386 75097944 1 ClNO9H24C29 ABC9D24E29 -290.72 6.51 -9.88 -1.51 0
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169387 75098196 1 BrSN3O4H28C31 ABC3D4E28F31 -10.03 4.17 -8.45 -1.42 -5
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169388 75098285 1 Cl2N6O8H17C22 A2B6C8D17E22 76.76 10.32 0.0 0.0 0
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169389 75098296 1 ClN2O3H17C19 AB2C3D17E19 -67.87 7.48 -8.68 -1.46 0
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169390 75098476 1 ClSN3C15H16 ABC3D15E16 85.2 3.31 -8.87 -0.43 0
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169391 75098477 1 OSN3C12H13 ABC3D12E13 46.47 6.25 -8.86 -1.82 0
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169392 75098506 1 ON4C15H20 AB4C15D20 20.61 4.0 -9.06 -0.85 0
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169393 75098816 1 ClOSN5C32H42 ABCD5E32F42 -25.46 2.09 -8.57 -0.38 0
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169394 75099149 1 ON3C25H27 AB3C25D27 48.27 15.23 -8.14 -0.67 0
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169395 75099742 1 OF2N3C21H25 AB2C3D21E25 -96.06 4.36 -9.25 -0.5 0
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169396 75099800 1 SN2F3O5C29H31 AB2C3D5E29F31 -275.79 5.06 -8.64 -0.94 0
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169397 75099967 1 ClF2N3O3C28H28 AB2C3D3E28F28 -145.03 1.12 -8.78 -0.42 0
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169398 75100811 1 ClO2F3N3C23H27 AB2C3D3E23F27 -215.44 3.47 -9.43 -0.74 0
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169399 75100930 1 F2O3N4C29H38 A2B3C4D29E38 -178.31 5.03 -8.63 -0.43 0
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169400 75101251 1 S2O3N4C28H30 A2B3C4D28E30 -26.85 5.08 -8.28 -0.48 0
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169401 75101359 1 ClON2C22H31 ABC2D22E31 -67.19 4.37 -8.74 -0.13 0
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169402 75101388 1 ClO2N3C19H20 AB2C3D19E20 -38.88 5.54 -9.46 -0.32 0
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169403 75101389 2 ON3C10H17 AB3C10D17 -63.35 5.35 -8.78 0.89 0
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169404 75101390 1 ClOF2N3C20H22 ABC2D3E20F22 -98.85 1.71 -9.44 -0.5 0
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169405 75101605 1 O3N4C33H46 A3B4C33D46 -75.51 5.89 -8.41 -0.03 0
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169406 75101606 1 SN3O3C18H31 AB3C3D18E31 -117.05 4.27 -8.85 0.26 0
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169407 75101730 1 ON6C21H24 AB6C21D24 41.49 7.55 -8.64 -0.32 0
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169408 75101777 1 N2O3C13H18 A2B3C13D18 -98.05 3.31 -9.62 -1.06 0
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169409 75101778 1 ClF3N3O3C27H33 AB3C3D3E27F33 -263.77 4.8 -8.71 -0.51 0
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169410 75101779 1 ClO3N4C33H39 AB3C4D33E39 -52.75 2.88 -8.8 -0.16 0
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169411 75101780 1 ClN3O4C30H32 AB3C4D30E32 -73.57 8.09 -8.72 -1.04 0
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169412 75101781 1 ClON4C29H29 ABC4D29E29 50.79 5.18 -8.9 -0.56 0
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169413 75101782 1 N3O3C34H47 A3B3C34D47 -94.3 2.2 -8.08 0.31 0
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169414 75101783 1 O2N4C21H26 A2B4C21D26 -39.08 2.7 -8.73 0.03 0
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169415 75102074 1 N3C18H29 A3B18C29 14.11 5.04 -8.44 0.14 0
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169416 75102075 1 N3O3C24H31 A3B3C24D31 -81.26 1.46 -8.74 -0.1 0
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169417 75102463 1 ClON3C24H36 ABC3D24E36 -54.18 3.82 -8.88 0.06 0
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169418 75102958 1 NF2O3H15C16 AB2C3D15E16 -137.37 6.64 -9.05 -0.42 0