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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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150383 53790072 2 NO2C7H10 AB2C7D10 -130.07 2.03 -9.51 -0.41 0
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150384 53790073 1 FN4O4C34H39 AB4C4D34E39 -151.83 3.37 -8.87 -1.43 0
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150385 53790074 1 ClON3C16H20 ABC3D16E20 -17.32 0.67 -9.34 -0.66 0
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150386 53790075 1 H5Br7C9 A5B7C9 33.58 1.08 -10.0 -1.41 0
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150387 53790076 1 FSiC26H37 ABC26D37 -34.23 2.89 -9.11 0.07 0
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150388 53790077 1 ClSN3O3C25H34 ABC3D3E25F34 -97.59 8.84 -8.39 -0.31 0
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150389 53790078 2 NOC19H38 ABC19D38 -260.24 3.67 -9.63 1.15 0
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150390 53790079 1 N3O5C22H27 A3B5C22D27 -191.76 8.37 -9.9 -1.08 0
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150391 53790080 1 H5C6F9 A5B6C9 -480.52 2.06 -12.96 0.59 0
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150392 53790081 1 ClSO2F3N5C17H19 ABC2D3E5F17G19 -140.69 6.36 -9.38 -1.55 0
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150393 53790082 1 N2F3O3H15C19 A2B3C3D15E19 -194.66 4.05 -9.49 -0.69 0
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150394 53790083 1 N2O3C24H28 A2B3C24D28 -102.58 8.01 -8.34 -0.82 0
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150395 53790084 2 NSO2C8H8 ABC2D8E8 -116.57 6.37 -8.55 -1.11 0
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150396 53790085 1 FO3C27H33 AB3C27D33 -148.6 5.67 -9.27 -0.69 0
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150397 53790086 2 ClC5H8 AB5C8 -48.77 3.98 -9.97 0.65 0
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150398 53790087 1 FNO2C14H18 ABC2D14E18 -128.8 3.3 -9.61 -0.18 0
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150399 53790088 1 NC13H21 AB13C21 -3.3 2.65 -8.35 0.22 0
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150400 53790089 1 N2O5C8H14 A2B5C8D14 -203.23 4.56 -9.78 -0.08 0
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150401 53790090 1 FN2O3C22H25 AB2C3D22E25 -125.17 4.35 -8.37 -0.28 0
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150402 53790091 1 ClFN2O2H18C20 ABC2D2E18F20 -64.55 4.33 -9.4 -0.7 0
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150403 53790092 2 NO2C12H17 AB2C12D17 -154.49 2.62 -8.68 0.12 0
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150404 53790093 3 OC8H8 AB8C8 -69.15 6.27 -8.8 -0.55 0
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150405 53790094 1 N2O2C9H10 A2B2C9D10 -32.62 4.21 -8.98 -0.39 0
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150406 53790096 1 NO2C16H19 AB2C16D19 -40.51 4.37 -9.12 -0.62 1
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150407 53790097 1 SO2N5C11H20 AB2C5D11E20 20.58 8.64 0.0 0.0 0
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150408 53790098 1 Cl3N5C15H20 A3B5C15D20 20.6 4.26 -8.52 -0.62 0
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150409 53790099 1 O3H8C9 A3B8C9 -76.05 7.49 -10.35 -1.09 0
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150410 53790100 1 ClN3H20C23 AB3C20D23 73.32 5.39 -8.91 -0.67 0
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150411 53790101 1 ClO3N8C26H33 AB3C8D26E33 -47.71 9.98 -9.11 -1.21 1
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150412 53790102 1 ClN2O3C21H22 AB2C3D21E22 -37.13 5.38 0.0 0.0 0
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150413 53790103 1 ON2C7H16 AB2C7D16 -68.98 3.92 -9.42 1.23 0
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150414 53790104 1 N7O7C29H43 A7B7C29D43 -282.72 8.79 -8.93 -0.48 0
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150415 53790105 1 PSC3O4H7 ABC3D4E7 -247.24 4.46 -10.06 -0.02 0
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150416 53790106 1 NO4C17H27 AB4C17D27 -117.54 4.67 -9.65 -0.41 0
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150417 53790107 1 PSH23C35 ABC23D35 186.67 0.62 -8.06 -1.32 0
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150418 53790108 1 NOC8H9 ABC8D9 3.3 3.44 -8.63 -0.02 0
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150419 53790109 1 O5N6C38H54 A5B6C38D54 -102.12 6.55 -8.58 -1.43 0
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150420 53790110 2 NO2C11H11 AB2C11D11 -100.21 3.5 -9.51 -0.84 0
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150421 53790111 1 FC2H3O3 AB2C3D3 -182.09 1.35 -12.22 -0.24 0
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150422 53790112 1 N2O5H6C11 A2B5C6D11 21.31 7.18 -10.55 -2.57 0
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150423 53790113 1 O2C9H14 A2B9C14 -84.99 2.43 -9.59 0.57 0
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150424 53790114 1 O2C25H36 A2B25C36 -90.47 4.36 -8.81 -0.75 0
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150425 53790115 1 N2S2O6C17H18 A2B2C6D17E18 -170.13 10.05 -9.31 -0.82 0
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150426 53790116 1 N2S2O6C17H18 A2B2C6D17E18 -172.79 6.94 -9.18 -0.71 0
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150427 53790117 1 N2O2H8C9 A2B2C8D9 -23.26 4.89 -10.24 -1.42 0
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150428 53790118 1 Cl2O3H14C17 A2B3C14D17 -84.81 2.22 -9.55 -0.85 0
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150429 53790119 2 O6C17H22 A6B17C22 -212.41 4.03 -8.6 -1.14 0
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150430 53790120 1 NC10H11 AB10C11 53.85 2.15 -8.84 -0.53 0
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150431 53790121 1 N3O4H25C30 A3B4C25D30 -39.29 7.86 -8.54 -1.56 0
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150432 53790122 1 F3H17C18 A3B17C18 -99.13 4.24 -8.93 -0.54 0
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150433 53790123 1 SN2O4C15H18 AB2C4D15E18 -146.97 6.18 -9.16 -0.45 0
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150434 53790124 2 ClNC7H7 ABC7D7 29.22 4.65 -8.6 -0.5 0
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150435 53790125 1 SN3O4H19C21 AB3C4D19E21 -74.8 2.53 -8.93 -0.55 0
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150436 53790126 1 O2N3C9H11 A2B3C9D11 -42.98 4.81 -8.86 -0.21 0
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150437 53790127 1 SN4H12C17 AB4C12D17 139.62 2.82 -8.58 -1.27 0
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150438 53790128 1 N2O2C9H14 A2B2C9D14 -75.41 3.26 -8.81 0.04 0
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150439 53790129 1 N2O2H46C53 A2B2C46D53 95.58 1.75 -7.86 -0.14 0
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150440 53790130 1 BrIN4H12C19 ABC4D12E19 139.27 6.26 -9.44 -1.36 0
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150441 53790131 1 PBr2N2O4C16H17 AB2C2D4E16F17 -183.06 2.41 -9.2 -0.72 0
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150442 53790132 1 N2O4H18C21 A2B4C18D21 -98.35 10.24 -9.1 -1.54 0
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150443 53790133 1 ClNO3C12H12 ABC3D12E12 -37.4 5.62 -10.13 -1.54 0
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150444 53790134 1 ClSO2N4C15H19 ABC2D4E15F19 46.56 2.74 -9.36 -0.78 0
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150445 53790135 1 PN2O6C18H25 AB2C6D18E25 -262.0 4.35 -8.46 -0.06 0
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150446 53790136 1 N2I3O5C13H13 A2B3C5D13E13 -138.09 7.7 -9.24 -1.83 0
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150447 53790137 1 O3C24H26 A3B24C26 -55.16 3.42 -8.46 0.3 0
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150448 53790138 1 NO5C20H21 AB5C20D21 -162.95 3.89 -8.76 -0.46 0
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150449 53790139 1 N3O5C17H17 A3B5C17D17 -88.55 3.76 -9.81 -1.59 0
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150450 53790140 1 PSN2O5C13H17 ABC2D5E13F17 -158.97 10.12 -9.47 -1.45 0
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150451 53790141 1 SN2O4C25H28 AB2C4D25E28 -104.31 5.69 -9.39 -1.09 0
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150452 53790142 1 SN2O4C23H24 AB2C4D23E24 -105.39 4.2 -9.15 -1.08 0
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150453 53790143 1 NSO2Si2C7H21 ABC2D2E7F21 -181.88 5.31 -9.46 0.86 0
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150454 53790144 1 SN3O6C18H19 AB3C6D18E19 -187.61 7.16 -8.66 -0.78 0
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150455 53790145 1 NO2H21C24 AB2C21D24 17.71 5.02 -8.79 -0.32 0
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150456 53790146 1 O3H16C17 A3B16C17 -38.62 6.17 -8.64 -0.79 0
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150457 53790147 1 O4C11H14 A4B11C14 -131.05 3.8 -9.28 -0.38 0
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150458 53790148 1 ClSF4O4N5H14C16 ABC4D4E5F14G16 -298.57 2.08 -9.38 -1.43 0
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150459 53790149 1 NPO7C19H30 ABC7D19E30 -373.87 2.01 -9.69 -0.05 0
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150460 53790150 2 NO3C17H21 AB3C17D21 -133.44 7.69 -8.7 -0.82 0
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150461 53790151 1 ON5C14H17 AB5C14D17 70.29 6.63 -8.71 -0.69 0
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150462 53790152 1 Cl2O2N3C16H19 A2B2C3D16E19 -48.35 5.48 -9.9 -0.82 0
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150463 53790153 1 SO3C30H30 AB3C30D30 -48.63 6.53 -8.45 -0.36 0
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150464 53790154 1 ON3C14H19 AB3C14D19 -13.73 4.9 -8.61 -0.19 0
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150465 53790155 1 SC7H14 AB7C14 -12.25 2.23 -8.9 0.34 0
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150466 53790156 1 O2N3C19H19 A2B3C19D19 -2.8 3.77 -9.06 -0.74 0
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150467 53790157 1 N4O5C11H14 A4B5C11D14 -112.88 6.09 -9.84 -0.93 0
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150468 53790158 1 NCl2O3H21C23 AB2C3D21E23 -32.05 3.98 -9.35 -0.58 0
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150469 53790159 1 S2N6O6C21H24 A2B6C6D21E24 -130.63 3.72 -9.3 -1.11 0
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150470 53790160 1 O5C7H12 A5B7C12 -225.55 2.09 -11.31 -0.26 0
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150471 53790161 1 NO5C20H27 AB5C20D27 -204.76 4.91 -8.83 -0.02 0
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150472 53790162 1 ON2H16C18 AB2C16D18 18.19 2.21 -8.18 -0.53 0
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150473 53790163 2 NO2C9H9 AB2C9D9 -86.57 5.49 -8.67 -0.88 0
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150474 53790164 1 N2O4C9H12 A2B4C9D12 -186.91 2.72 -10.88 -0.41 0
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150475 53790165 1 NO3Cl4C20H27 AB3C4D20E27 -114.69 2.52 -9.18 -0.71 0
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150476 53790166 1 N2C19H26 A2B19C26 72.89 2.88 -8.53 0.0 0
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150477 53790167 1 O2N7C27H27 A2B7C27D27 82.97 4.54 -8.13 -0.77 0
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150478 53790168 1 N2O3C13H14 A2B3C13D14 -63.14 5.66 -9.87 -1.09 0
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150479 53790169 1 O2N3C16H27 A2B3C16D27 -68.1 3.73 -8.27 0.09 1
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150480 53790170 1 O2N3C15H18 A2B3C15D18 -63.15 4.81 0.0 0.0 0
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150481 53790171 1 SCl2F2O3N4C11H12 AB2C2D3E4F11G12 -195.88 5.51 -9.16 -0.67 0
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150482 53790173 1 NC16H17 AB16C17 67.98 1.76 -8.06 -0.29 0