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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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392290 135014183 1 ON2H24C26 AB2C24D26 36.42 3.9 -8.64 -0.15 1
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392291 135014223 1 IO3C18H22 AB3C18D22 -99.23 2.44 0.0 0.0 0
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392293 135014235 1 NO3C13H15 AB3C13D15 -102.75 5.72 -9.89 -0.25 0
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392294 135014248 1 NO3H27C30 AB3C27D30 12.85 4.95 -8.72 -0.7 0
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392295 135014256 1 SiO5C38H58 AB5C38D58 -87.4 58.49 -5.3 -3.38 1
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392296 135014262 1 ON4H23C26 AB4C23D26 99.67 0.58 0.0 0.0 0
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392297 135014263 1 OPC14H19 ABC14D19 -32.23 12.58 -6.88 -0.8 0
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392298 135014291 1 O6C37H52 A6B37C52 -224.13 2.41 -10.05 0.86 0
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392299 135014298 1 O2N3C14H17 A2B3C14D17 3.66 5.81 -8.94 0.03 0
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392300 135014299 1 NSO4C15H21 ABC4D15E21 -157.92 7.44 -9.27 -0.5 0
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392301 135014308 2 NO2C18H19 AB2C18D19 -113.78 8.38 -9.15 -0.03 0
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392302 135014363 1 O2H28C41 A2B28C41 71.6 3.62 -8.28 -0.89 0
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392303 135014369 1 N3O6C14H17 A3B6C14D17 -225.58 6.98 -9.53 -1.42 0
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392304 135014370 1 N3O7C22H25 A3B7C22D25 -227.73 4.35 -9.74 -1.36 0
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392305 135014371 1 N3O8C22H25 A3B8C22D25 -286.48 2.9 -9.45 -1.3 0
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392306 135014383 1 O11C31H52 A11B31C52 -585.92 2.0 -10.43 0.49 0
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392307 135014397 1 O5C14H16 A5B14C16 -177.83 2.55 -9.92 -0.21 0
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392308 135014414 1 N4O4C11H14 A4B4C11D14 -112.04 4.09 -8.71 -0.7 0
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392309 135014431 1 O2C9H14 A2B9C14 -80.76 4.09 -9.65 -0.11 0
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392310 135014432 2 C7H12 A7B12 -20.74 1.5 -9.59 1.27 0
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392311 135014433 2 OC5H9 AB5C9 -59.78 0.43 -10.3 1.07 0
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392312 135014434 2 O2C11H13 A2B11C13 -152.52 2.75 -9.96 -0.65 0
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392313 135014435 1 NO6C19H33 AB6C19D33 -313.75 4.44 -9.8 -0.23 0
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392314 135014437 1 SiO3C18H30 AB3C18D30 -175.19 0.36 -8.93 0.14 0
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392315 135014438 1 O2C19H22 A2B19C22 -31.02 2.02 -9.22 0.28 0
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392316 135014441 1 N2O2C15H22 A2B2C15D22 -41.76 2.18 -9.37 0.72 0
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392317 135014442 1 N2O2C15H22 A2B2C15D22 -43.59 5.27 -9.59 0.38 1
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392318 135014465 1 NOC10H20 ABC10D20 -9.2 8.67 0.0 0.0 0
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392319 135014471 1 O7C18H26 A7B18C26 -304.96 3.93 -10.28 0.39 0
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392320 135014474 2 OC8H13 AB8C13 -103.79 1.3 -9.96 -0.12 0
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392322 135014483 1 NOC11H21 ABC11D21 -69.13 1.72 -8.75 2.74 0
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392323 135014486 2 NOC10H10 ABC10D10 -16.2 2.18 -8.26 -0.64 0
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392326 135014523 1 O3C13H16 A3B13C16 -114.65 2.13 -8.12 0.2 0
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392329 135014547 1 NSiS2O3C23H41 ABC2D3E23F41 -192.11 6.39 -8.41 -0.76 0
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392330 135014560 2 O3C8H11 A3B8C11 -235.13 2.97 -10.22 0.51 0
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392331 135014561 2 O3C8H11 A3B8C11 -237.79 1.16 -10.15 0.46 0
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392332 135014562 1 NF6H11C15 AB6C11D15 -266.02 5.11 -9.67 -0.77 0
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392333 135014563 1 Si3O5C32H70 A3B5C32D70 -486.16 0.89 -8.69 1.17 0
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392334 135014564 1 OC13H20 AB13C20 -36.67 3.17 -9.96 -0.15 0
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392335 135014565 1 ON2C9H14 AB2C9D14 -11.67 2.02 -8.88 0.01 0
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392336 135014566 2 SiO3C12H24 AB3C12D24 -414.05 1.53 -8.8 -0.35 0
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392337 135014567 1 Si2O4C23H48 A2B4C23D48 -332.12 0.62 -8.84 1.08 -1
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392338 135014568 1 OYN2H11C13 ABC2D11E13 144.68 23.74 -4.87 -3.31 0
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392339 135014574 1 NOSC19H23 ABCD19E23 52.79 2.05 -8.52 -0.41 0
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392340 135014593 1 NSO3C21H25 ABC3D21E25 -56.35 6.08 -9.02 -0.1 0
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392341 135014596 1 O5C25H34 A5B25C34 -187.72 5.88 -9.29 0.3 0
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392342 135014599 1 O2N5C24H29 A2B5C24D29 -30.33 3.02 -8.81 -0.71 0
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392343 135014601 1 NSSiO6C41H57 ABCD6E41F57 -276.1 5.58 -8.86 -0.07 0
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392344 135014614 1 NO5H13C14 AB5C13D14 -155.74 5.31 -9.03 -1.26 0
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392345 135014615 1 FOC13H15 ABC13D15 -71.36 3.33 -9.13 -0.3 0
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392346 135014616 1 BrOC8H11 ABC8D11 -40.8 5.21 -9.95 -0.34 0
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392347 135014617 1 NOC12H19 ABC12D19 -1.92 1.72 -9.55 0.96 0
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392348 135014618 1 NO4C27H45 AB4C27D45 -171.83 4.33 -9.33 0.65 0
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392349 135014621 1 ClNO3H20C22 ABC3D20E22 -92.57 4.04 -9.09 -0.84 0
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392350 135014622 1 ON2C8H16 AB2C8D16 -43.58 1.72 -8.52 2.12 0
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392351 135014625 2 NSiO2C12H20 ABC2D12E20 -229.21 5.58 -8.5 -0.34 0
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392352 135014641 1 O6C41H60 A6B41C60 -278.58 4.25 -9.37 0.04 0
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392353 135014661 1 BrNO9C17H26 ABC9D17E26 -429.96 3.82 -9.98 -0.08 0
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392354 135014686 1 NO2C30H31 AB2C30D31 7.36 5.28 -8.49 0.04 0
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392355 135014692 1 ClO2C19H19 AB2C19D19 -55.91 1.51 -8.89 -0.27 0
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392356 135014694 1 NOC7H15 ABC7D15 -49.82 1.02 -8.86 2.17 0
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392358 135014714 1 ClNSO2C16H16 ABCD2E16F16 -38.79 5.34 -9.32 -0.52 0
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392359 135014715 1 NSO7C16H21 ABC7D16E21 -247.98 7.55 -9.89 -0.15 0
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392360 135014728 1 N3O6C26H41 A3B6C26D41 -313.09 5.52 -9.48 0.2 0
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392361 135014729 1 NOC16H27 ABC16D27 -33.26 1.0 -9.0 1.33 0
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392362 135014730 1 SN4O7C15H24 AB4C7D15E24 -254.44 4.95 -9.99 -0.5 0
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392363 135014733 1 F3O3H11C15 A3B3C11D15 -236.65 6.36 -9.76 -1.22 0
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392364 135014735 1 NO2C23H25 AB2C23D25 -24.67 3.82 -9.1 -0.07 0
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392365 135014766 1 NOSiC18H31 ABCD18E31 -87.37 2.23 -8.72 0.32 0
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392366 135014767 1 NSiO3C19H33 ABC3D19E33 -163.41 2.83 -7.77 0.25 2
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392367 135014788 1 ON4C42H82 AB4C42D82 -28.56 4.67 -2.38 -0.07 0
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392368 135014789 1 ON4C42H80 AB4C42D80 -143.06 5.69 -8.66 0.4 0
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392369 135014792 1 ON4C61H86 AB4C61D86 26.99 6.3 -7.97 -1.59 0
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392370 135014802 1 NO12C70H97 AB12C70D97 -530.91 8.17 -9.91 -0.72 0
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392371 135014803 1 ClNOH14C16 ABCD14E16 -0.92 2.0 -9.41 -0.06 0
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392372 135014804 1 NOH17C20 ABC17D20 25.45 1.52 -8.73 -0.33 0
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392373 135014815 1 O2C15H20 A2B15C20 -57.68 4.55 -9.39 -0.15 -1
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392374 135014866 1 TiO4C34H35 AB4C34D35 -73.55 4.5 0.0 0.0 0
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392375 135014944 1 O2C19H20 A2B19C20 -42.18 1.45 -8.21 0.15 0
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392376 135014945 2 NOC6H8 ABC6D8 -55.49 2.3 -9.13 -0.33 0
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392377 135014954 1 SiO3C24H32 AB3C24D32 -151.31 1.07 -9.0 -0.3 0
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392378 135015048 1 S2O8C25H28 A2B8C25D28 -276.29 5.05 -9.95 -0.8 0
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392379 135015050 1 N2O4C19H26 A2B4C19D26 -139.03 4.05 -8.2 0.03 0
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392380 135015057 1 O3C20H30 A3B20C30 -101.51 5.81 -9.64 0.62 -1
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392381 135015075 1 PSN4O5C10H20 ABC4D5E10F20 -270.05 2.47 0.0 0.0 0
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392382 135015107 1 SiO4C24H32 AB4C24D32 -194.8 1.71 -9.15 -0.03 0
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392383 135015126 1 N7O8H21C22 A7B8C21D22 -149.5 4.48 -9.58 -1.32 0
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392384 135015162 1 NSO2C19H27 ABC2D19E27 -106.03 3.88 -8.95 -0.02 0
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392385 135015184 1 O7C23H26 A7B23C26 -247.64 3.26 -9.43 0.02 0
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392386 135015188 1 OC19H20 AB19C20 23.91 2.15 -9.36 0.14 0
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392387 135015193 1 NSO2H23C24 ABC2D23E24 -22.59 2.14 -8.78 -0.33 0
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392388 135015222 1 NO3C21H23 AB3C21D23 -101.88 3.74 -8.77 -0.15 0
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392389 135015229 2 NOC11H11 ABC11D11 -17.39 3.82 -8.0 -0.05 0
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392390 135015286 1 O2C15H16 A2B15C16 -26.44 4.12 -9.58 -0.58 0
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392391 135015307 2 NOC8H9 ABC8D9 -2.58 3.11 -8.93 -0.09 0
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392392 135015309 2 O2C8H11 A2B8C11 -167.36 1.44 -8.88 0.12 0
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392393 135015330 1 O13C33H40 A13B33C40 -527.13 4.51 -9.28 -0.11 1
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392394 135015341 1 ON5F6H18C21 AB5C6D18E21 -255.61 6.47 0.0 0.0 0
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392395 135015342 1 NSO2H9C12 ABC2D9E12 -10.54 3.32 -8.92 -0.68 0
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392396 135015349 1 OF3N6C16H17 AB3C6D16E17 -135.74 3.05 -9.16 -0.91 0