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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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442362 135251574 1 PN2C9H13 AB2C9D13 46.54 1.55 -9.37 -0.44 0
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442363 135251576 1 N2O2C9H10 A2B2C9D10 -33.6 2.62 -9.91 -1.32 0
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442364 135251584 1 N3O3C31H37 A3B3C31D37 -72.69 6.94 -8.86 -0.48 0
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442365 135251586 1 FN3O3C32H36 AB3C3D32E36 -103.53 7.9 -8.76 -0.41 0
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442366 135251590 1 ON2S2C12H20 AB2C2D12E20 -52.43 1.31 -8.89 -0.84 0
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442367 135251610 1 NO2C21H35 AB2C21D35 -124.58 2.72 -9.74 -0.01 0
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442368 135251624 1 FH17C21 AB17C21 12.79 2.31 -8.77 -0.45 0
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442369 135251629 1 FO2N3C22H24 AB2C3D22E24 -89.56 6.51 -9.12 -0.65 0
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442370 135251631 1 NOH39C58 ABC39D58 203.39 1.36 -7.9 -0.72 0
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442371 135251635 1 N2H50C67 A2B50C67 249.35 0.8 -7.99 -0.47 0
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442372 135251641 1 N3O5C18H25 A3B5C18D25 -206.08 8.03 -9.25 -0.66 0
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442373 135251665 1 SC10H20 AB10C20 -47.91 2.66 -8.42 0.78 0
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442374 135251666 1 OC10H20 AB10C20 -87.9 2.35 -9.49 2.54 0
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442375 135251684 1 O2C13H26 A2B13C26 -144.89 1.83 -9.66 1.75 0
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442376 135251696 1 O3N4C25H26 A3B4C25D26 -24.19 3.62 -8.77 -0.29 0
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442377 135251698 1 N4O4C27H32 A4B4C27D32 -115.92 4.55 -8.7 -0.19 0
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442378 135251710 1 SC20H22 AB20C22 12.44 1.15 -8.38 -0.34 0
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442379 135251726 1 NC21H25 AB21C25 14.89 2.15 -8.02 0.07 0
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442380 135251727 1 NC24H25 AB24C25 47.29 2.49 -8.07 -0.11 0
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442381 135251729 1 OC17H18 AB17C18 -16.78 1.59 -8.45 0.16 0
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442382 135251733 1 NOC15H15 ABC15D15 7.32 3.21 -8.96 -0.76 0
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442383 135251736 1 SN2C14H14 AB2C14D14 48.57 1.29 -8.69 -1.0 0
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442384 135251744 2 NH12C16 AB12C16 119.0 2.53 -7.89 -0.34 0
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442385 135251745 2 NH12C16 AB12C16 122.94 1.45 -7.89 -0.35 0
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442386 135251753 2 NH10C13 AB10C13 103.46 2.46 -7.9 -0.36 0
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442387 135251765 1 S2N3O8C51H61 A2B3C8D51E61 -241.36 13.87 -7.95 -1.87 1
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442388 135251766 1 OSN3C39H52 ABC3D39E52 5.99 3.58 0.0 0.0 0
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442389 135251768 1 ON2H14C19 AB2C14D19 44.67 3.07 -8.4 -1.3 0
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442391 135251789 1 N3C27H35 A3B27C35 117.77 2.57 -8.69 -0.42 0
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442392 135251797 1 FPSO6N7C22H23 ABCD6E7F22G23 -158.55 6.38 -8.75 -1.24 0
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442393 135251800 1 SN3C26H35 AB3C26D35 28.02 4.56 -7.58 -0.02 0
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442394 135251805 1 ClS2N3C27H30 AB2C3D27E30 65.12 2.97 -7.66 -0.22 0
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442395 135251809 1 S2N3C27H31 A2B3C27D31 76.82 2.36 -7.66 -0.37 0
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442396 135251815 1 FSN3C24H30 ABC3D24E30 -9.11 5.99 -7.59 -0.26 0
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442397 135251824 1 OSN3C26H35 ABC3D26E35 -6.92 5.69 -7.4 0.12 0
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442398 135251829 1 SF3N3C27H28 AB3C3D27E28 -88.16 2.81 -8.0 -0.74 0
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442399 135251837 1 SF3N3C28H30 AB3C3D28E30 -88.92 5.31 -7.92 -0.68 0
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442400 135251845 1 SCl2N3C25H25 AB2C3D25E25 57.54 5.23 -7.87 -0.47 0
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442401 135251858 1 OS2N3C27H31 AB2C3D27E31 38.22 3.17 -7.63 -0.21 0
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442402 135251859 1 SN3C24H31 AB3C24D31 40.39 6.04 -7.39 -0.03 0
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442403 135251862 1 ClSN3C26H34 ABC3D26E34 18.33 5.59 -7.69 -0.22 0
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442404 135251878 1 SO5N7C29H29 AB5C7D29E29 -40.51 6.8 -8.38 -1.17 0
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442405 135251887 1 ClFO2S2N4H18C22 ABC2D2E4F18G22 -37.18 9.41 -8.88 -1.68 0
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442406 135251889 1 ON7H25C32 AB7C25D32 186.66 5.92 -8.33 -1.78 0
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442407 135251890 1 SO3C7H10 AB3C7D10 -120.56 5.85 -9.74 -0.18 0
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442408 135251914 1 SF2N3O5C27H29 AB2C3D5E27F29 -246.18 3.27 -8.15 -0.81 0
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442409 135251916 1 F2S2N3O7H29C32 A2B2C3D7E29F32 -281.93 9.15 -8.3 -0.62 0
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442410 135251919 1 S2N4O5H26C30 A2B4C5D26E30 -74.91 13.89 -8.42 -0.61 0
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442411 135251921 1 SN3O5C24H31 AB3C5D24E31 -159.06 10.18 -7.97 -0.76 0
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442412 135251922 1 ClSF2N3O4H22C24 ABC2D3E4F22G24 -192.16 5.95 -8.4 -1.11 0
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442413 135251923 1 ClFS2N4O5H30C33 ABC2D4E5F30G33 -149.65 9.65 -8.76 -0.91 0
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442414 135251925 1 ClFSO2N4H30C31 ABCD2E4F30G31 -36.1 4.88 -9.09 -1.17 0
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442415 135251926 1 ClFS2O3N4H32C33 ABC2D3E4F32G33 -75.8 11.2 -8.41 -1.09 0
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442416 135251927 3 NOH5C6 ABC5D6 -35.65 7.7 -8.66 -1.31 0
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442417 135251928 1 ClFS2N4O4H26C31 ABC2D4E4F26G31 -101.36 9.15 -8.71 -1.02 0
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442418 135251929 1 ClFS2N4O7H32C34 ABC2D4E7F32G34 -234.86 1.57 -9.4 -1.34 0
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442419 135251930 1 ClFS2N4O7H36C37 ABC2D4E7F36G37 -239.15 2.79 -9.2 -1.2 0
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442420 135251931 1 ClFS2N4O7H36C37 ABC2D4E7F36G37 -240.8 9.34 -8.73 -1.25 0
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442421 135251932 1 ClFS2N4O7H32C34 ABC2D4E7F32G34 -238.27 7.77 -8.91 -1.05 0
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442422 135251934 1 N3H9C14 A3B9C14 116.5 6.49 -8.11 -1.16 0
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442423 135251981 1 N3O7H81C83 A3B7C81D83 -130.58 0.54 -8.2 -2.25 0
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442424 135251984 1 ClC13H19 AB13C19 -34.9 1.77 -8.98 0.27 0
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442426 135252027 1 O8H42C49 A8B42C49 -153.04 1.98 -8.54 -0.72 0
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442427 135252030 1 NO6C13H19 AB6C13D19 -247.98 4.21 -8.59 -0.17 0
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442428 135252031 1 NO5C18H29 AB5C18D29 -222.08 5.26 -8.5 0.04 0
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442429 135252032 1 NO5C19H31 AB5C19D31 -227.87 3.87 -8.76 -0.31 0
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442430 135252033 1 N2O5C11H16 A2B5C11D16 -195.25 6.83 -8.76 -0.13 0
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442431 135252034 1 NO6C12H17 AB6C12D17 -239.84 4.38 -8.61 -0.22 0
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442432 135252035 1 NO6C15H23 AB6C15D23 -256.14 4.01 -8.77 -0.28 0
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442433 135252039 1 FN6H19C24 AB6C19D24 164.66 7.13 -8.34 -1.76 0
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442434 135252041 1 FO2N7C36H38 AB2C7D36E38 38.41 12.1 -8.32 -1.75 0
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442435 135252042 1 FO2N7C32H32 AB2C7D32E32 49.97 5.52 -8.37 -1.8 0
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442436 135252043 1 NC11H15 AB11C15 20.34 1.74 -8.25 0.36 0
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442437 135252045 1 ON7H25C32 AB7C25D32 183.0 2.0 -8.49 -1.97 0
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442438 135252046 1 ON7H25C32 AB7C25D32 183.46 9.3 -8.43 -1.88 0
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442439 135252047 1 ClSO4N5C29H32 ABC4D5E29F32 -107.36 6.89 -8.66 -0.97 0
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442440 135252098 1 O2N5H25C38 A2B5C25D38 167.01 0.35 -8.18 -0.4 0
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442441 135252101 1 N2H20C29 A2B20C29 141.56 1.99 -8.06 -0.24 0
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442442 135252103 1 N7H25C37 A7B25C37 246.19 1.96 -8.18 -0.77 0
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442443 135252127 1 N5H55C67 A5B55C67 257.57 2.53 -7.77 -0.92 0
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442444 135252135 2 NO2H9C13 AB2C9D13 -3.12 4.5 -8.73 -1.29 0
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442445 135252137 1 NO2S2H19C27 AB2C2D19E27 30.13 3.24 -8.42 -1.0 0
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442446 135252138 1 NOH27C41 ABC27D41 142.19 1.64 -8.08 -0.46 0
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442447 135252140 1 N5H29C45 A5B29C45 267.86 2.97 -7.81 -0.96 0
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442448 135252141 1 N5H33C51 A5B33C51 289.65 3.99 -7.87 -0.97 0
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442449 135252142 2 N2H15C22 A2B15C22 225.75 1.49 -8.22 -0.89 0
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442450 135252143 1 N3H29C45 A3B29C45 219.25 3.84 -8.06 -0.62 0
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442451 135252144 4 NH7C11 AB7C11 232.82 6.68 -8.12 -0.7 0
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442452 135252146 1 NC14H25 AB14C25 -8.84 1.86 -8.5 0.61 0
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442453 135252147 3 NH9C11 AB9C11 132.27 3.83 -8.3 -0.62 0
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442454 135252148 1 NPO2C3H8 ABC2D3E8 -20.59 5.06 -9.75 -0.53 0
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442455 135252149 1 NC11H19 AB11C19 -17.29 1.5 -8.06 1.5 0
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442456 135252150 1 NOH19C30 ABC19D30 106.71 1.38 -8.18 -0.7 0
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442457 135252151 1 FC14H17 AB14C17 -58.88 2.12 -8.78 0.46 0
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442458 135252179 1 ClNO3H14C23 ABC3D14E23 -13.01 1.9 -9.17 -1.53 0
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442459 135252244 1 N3F4O5C23H27 A3B4C5D23E27 -353.02 4.67 -8.69 0.01 0
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442460 135252245 1 N3F4O4C15H19 A3B4C4D15E19 -349.18 5.89 -10.03 -0.1 0
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442461 135252249 1 NSO6C14H23 ABC6D14E23 -273.31 7.16 -9.38 -0.59 0
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442462 135252251 1 N2F3O5C26H31 A2B3C5D26E31 -342.89 8.22 -8.58 -0.28 0
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442463 135252255 1 ON3H13C17 AB3C13D17 109.95 8.87 -8.2 -1.29 0