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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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49485 11533101 1 F3O4H23C28 A3B4C23D28 -251.37 5.75 -9.24 -0.99 0
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49486 11533102 1 O2F3N4H23C26 A2B3C4D23E26 -124.65 5.73 -8.13 -1.28 0
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49487 11533103 1 FN4O5C25H25 AB4C5D25E25 -146.9 3.97 -9.14 -0.92 0
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49488 11533104 1 FSN4O6C21H25 ABC4D6E21F25 -238.08 6.47 -9.21 -1.13 0
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49489 11533106 1 SF2N2O5C23H26 AB2C2D5E23F26 -254.48 6.93 -9.15 -0.76 0
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49490 11533107 1 SN2O6H24C25 AB2C6D24E25 -164.97 6.51 -9.23 -0.37 0
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49491 11533108 1 FO3N6C25H29 AB3C6D25E29 -111.26 2.99 -8.67 -0.66 0
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49492 11533111 1 FN6C29H29 AB6C29D29 78.07 5.34 -8.46 -0.69 0
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49493 11533115 1 N2O4C29H40 A2B4C29D40 -170.24 4.38 -8.77 -0.39 0
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49494 11533116 2 NOC16H18 ABC16D18 4.71 3.11 -8.39 -0.01 0
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49495 11533117 1 O3N4C28H40 A3B4C28D40 -103.36 1.29 -8.63 -0.26 0
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49496 11533119 1 SnO2C24H42 AB2C24D42 -119.64 1.89 -9.54 -0.57 0
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49497 11533121 1 Cl2O2N4H22C25 A2B2C4D22E25 17.58 8.87 -8.7 -1.02 0
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49498 11533122 1 O2N3F4H19C26 A2B3C4D19E26 -215.49 3.46 -8.95 -1.25 0
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49499 11533123 1 O4N5H23C27 A4B5C23D27 -63.01 2.96 -9.07 -0.77 0
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49500 11533125 1 SO4N5C24H27 AB4C5D24E27 -30.28 2.72 -8.86 -1.3 0
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49501 11533127 1 BrClF2O3H16C22 ABC2D3E16F22 -160.44 4.11 -9.57 -0.93 0
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49502 11533128 1 ClF2O2N5H18C24 AB2C2D5E18F24 -46.77 3.72 -8.83 -0.89 0
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49503 11533131 1 ClO2N5C26H32 AB2C5D26E32 -31.29 1.97 -8.83 -0.49 1
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49504 11533134 1 FNOC27H29 ABCD27E29 -0.56 4.6 0.0 0.0 0
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49505 11533137 2 N2O2H13C14 A2B2C13D14 -53.49 5.06 -8.64 -0.81 0
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49506 11533138 1 N2O2F3C28H29 A2B2C3D28E29 -194.67 4.44 -8.86 -0.64 0
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49507 11533142 1 N2O4C29H42 A2B4C29D42 -187.81 1.6 -9.2 -0.75 0
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49508 11533147 1 BrO2N4C24H27 AB2C4D24E27 -34.21 5.28 -8.72 -1.03 0
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49509 11533148 1 Cl2N2O2S3H16C20 A2B2C2D3E16F20 -16.77 5.65 -9.28 -1.65 0
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49510 11533149 1 ON5H25C31 AB5C25D31 107.17 4.14 -8.95 -1.05 0
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49511 11533151 1 SO3N5C25H33 AB3C5D25E33 -36.52 2.52 -8.66 -0.83 0
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49512 11533152 1 NO3C31H49 AB3C31D49 -197.61 8.39 -9.35 0.12 0
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49513 11533153 1 ClF3N3O5H17C21 AB3C3D5E17F21 -285.79 2.67 -9.57 -0.8 0
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49514 11533154 2 BNF4H9C11 ABC4D9E11 -533.43 13.3 -7.65 -1.79 2
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49515 11533155 2 NH9C11 AB9C11 117.83 2.34 -6.33 -0.85 0
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49516 11533156 1 F3O3N4H23C25 A3B3C4D23E25 -186.99 8.8 -9.48 -1.07 0
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49517 11533157 1 N4O11C18H36 A4B11C18D36 -495.77 2.82 -9.7 0.33 0
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49518 11533161 1 F2O2N6C25H30 A2B2C6D25E30 -115.91 6.89 -8.7 -0.67 0
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49519 11533163 1 SF2O2N4C25H26 AB2C2D4E25F26 -65.24 5.51 -8.65 -0.99 0
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49520 11533170 2 ON2C15H18 AB2C15D18 -82.34 3.61 -8.93 -0.82 0
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49521 11533171 1 O3N4C28H44 A3B4C28D44 -170.05 2.35 -9.08 0.25 0
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49522 11533172 1 SiO2C32H40 AB2C32D40 -55.63 2.31 -8.93 0.2 0
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49523 11533173 1 O3C32H52 A3B32C52 -213.02 2.59 -9.75 0.5 0
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49524 11533174 1 ClPN4O4H22C23 ABC4D4E22F23 -99.68 3.84 -9.19 -1.02 0
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49525 11533175 1 ClN4O5C24H25 AB4C5D24E25 -121.42 3.78 -9.14 -0.97 0
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49526 11533177 1 ClON2C31H33 ABC2D31E33 83.7 4.06 -8.66 -0.94 0
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49527 11533186 1 ClSF2N3O3C22H26 ABC2D3E3F22G26 -198.19 4.41 -9.51 -0.85 0
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49528 11533188 1 SCl2O2N5H17C22 AB2C2D5E17F22 25.83 5.46 -8.6 -0.82 0
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49529 11533190 1 O3F4N4H18C24 A3B4C4D18E24 -241.67 6.15 -8.68 -1.06 0
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49530 11533192 2 N3O4C10H17 A3B4C10D17 -390.11 7.6 -10.12 -0.05 0
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49531 11533193 1 N4O5H26C27 A4B5C26D27 -71.88 6.91 -8.43 -1.4 0
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49532 11533194 2 OPC15H16 ABC15D16 -41.24 1.62 -8.61 0.21 0
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49533 11533195 1 O2F3N4C26H29 A2B3C4D26E29 -181.87 4.87 -8.91 -1.03 0
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49534 11533196 1 SN4O5C24H30 AB4C5D24E30 -171.88 7.75 -8.12 -0.56 0
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49535 11533197 1 N2O2H30C33 A2B2C30D33 34.49 4.2 -8.5 -0.78 0
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49536 11533198 1 SO2N4C28H30 AB2C4D28E30 -2.66 5.34 -8.32 -0.64 0
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49537 11533200 1 OSN4C29H34 ABC4D29E34 17.11 2.69 -8.81 -0.18 0
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49538 11533201 1 SN6C28H34 AB6C28D34 100.71 5.09 -8.6 -0.68 0
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49539 11533204 1 N2S2O5C21H26 A2B2C5D21E26 -123.63 3.39 -9.01 -1.16 0
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49540 11533206 1 SCl2O3N4H16C22 AB2C3D4E16F22 -16.24 2.39 -9.0 -1.1 0
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49541 11533208 1 BrO5C25H27 AB5C25D27 -167.42 6.65 -9.21 -1.33 0
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49542 11533209 1 Na2N5O6C21H23 A2B5C6D21E23 -365.47 10.72 -8.94 -0.31 0
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49543 11533211 1 ClN2S2O4H19C20 AB2C2D4E19F20 -107.17 0.97 -9.15 -1.39 0
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49544 11533212 1 BrN2S2O4C19H23 AB2C2D4E19F23 -130.02 4.22 -9.44 -0.67 0
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49545 11533214 1 N5O5H25C26 A5B5C25D26 -79.66 3.41 -8.83 -0.83 0
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49546 11533215 1 N3O5C28H29 A3B5C28D29 -150.23 4.4 -9.65 -0.43 0
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49547 11533216 1 FSO4N5C23H26 ABC4D5E23F26 -108.42 8.0 -9.02 -0.65 0
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49548 11533217 1 N3O3H25C31 A3B3C25D31 28.49 2.79 -9.2 -1.24 0
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49549 11533218 1 O2N5H25C30 A2B5C25D30 66.16 4.17 -8.68 -1.1 0
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49550 11533221 1 SN3O6C24H29 AB3C6D24E29 -181.1 6.43 -8.97 -0.56 0
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49551 11533222 1 SN3O4H25C27 AB3C4D25E27 -43.25 4.61 -8.78 -1.19 0
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49552 11533231 1 O3F5N6C20H21 A3B5C6D20E21 -278.42 10.26 -8.82 -0.8 0
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49553 11533232 1 ZrCl2N2O4C18H20 AB2C2D4E18F20 -201.68 6.74 -7.26 -1.76 0
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49554 11533233 1 FO3N8H21C24 AB3C8D21E24 0.22 6.16 -9.51 -1.52 0
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49555 11533234 1 OCl2N3C27H35 AB2C3D27E35 -34.33 7.12 -8.61 -0.37 0
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49556 11533235 1 N2F3O4C26H27 A2B3C4D26E27 -236.82 7.26 -8.92 -0.69 0
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49557 11533253 1 N3O7H23C26 A3B7C23D26 -134.42 8.03 -8.94 -2.06 0
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49558 11533254 1 FO3N5C27H28 AB3C5D27E28 -63.79 5.08 -8.93 -0.76 0
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49559 11533257 1 FO2N5C28H32 AB2C5D28E32 -67.27 3.89 -8.38 -0.48 0
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49560 11533259 1 N3O4C29H35 A3B4C29D35 -106.34 4.01 -8.43 -0.6 0
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49561 11533260 1 ClFO2N5H21C26 ABC2D5E21F26 -3.01 2.12 -8.83 -1.22 0
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49562 11533261 1 ClO2N3C29H32 AB2C3D29E32 -47.32 4.68 -8.66 -0.92 0
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49563 11533264 1 FO3N4C28H31 AB3C4D28E31 -96.92 6.74 -8.57 -0.67 0
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49564 11533265 1 SO5N6C22H30 AB5C6D22E30 -132.55 12.93 -9.2 -1.41 0
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49565 11533270 1 Si2O5C25H54 A2B5C25D54 -366.62 3.75 -8.89 0.24 0
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49566 11533271 1 ClN2S2O4C23H23 AB2C2D4E23F23 -109.18 7.96 -8.83 -0.91 0
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49567 11533276 1 F3N3O6H20C23 A3B3C6D20E23 -258.75 11.25 -9.95 -1.73 2
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49569 11533279 2 NO2C13H14 AB2C13D14 -83.36 2.51 -9.51 -0.02 0
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49570 11533283 1 SO2N5C27H33 AB2C5D27E33 -8.1 7.46 -8.09 -0.2 0
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49571 11533286 1 ClPF2N3O4H17C22 ABC2D3E4F17G22 -186.26 6.81 -9.01 -1.25 0
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49572 11533287 1 ClFNO6C25H27 ABCD6E25F27 -266.89 6.09 -9.36 -0.96 0
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49573 11533289 1 BrSN3O4C21H22 ABC3D4E21F22 -109.94 7.74 -9.06 -1.52 0
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49574 11533291 1 N2F3O6H23C24 A2B3C6D23E24 -342.76 3.76 -9.05 -0.99 0
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49575 11533292 1 OF4N4H20C27 AB4C4D20E27 -112.39 2.76 -9.86 -1.33 0
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49576 11533294 1 FSO3N4H25C26 ABC3D4E25F26 -76.91 6.16 -8.8 -0.77 0
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49577 11533299 1 ClO2F3N4C24H24 AB2C3D4E24F24 -172.11 5.33 -9.02 -1.06 0
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49578 11533301 1 OF3N7H22C25 AB3C7D22E25 -55.06 5.22 -8.35 -0.98 0
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49579 11533303 1 NSO9C23H27 ABC9D23E27 -270.41 7.22 -8.14 -0.89 0
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49580 11533304 1 NO7C28H31 AB7C28D31 -183.64 5.12 -8.33 -0.74 0
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49581 11533305 1 N3O4H27C30 A3B4C27D30 -7.91 3.81 -8.3 -0.73 0
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49582 11533307 1 FOSN3H24C30 ABCD3E24F30 50.85 4.04 -8.8 -0.6 0
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49583 11533310 1 ClOSF4N5H12C21 ABCD4E5F12G21 -116.45 5.22 -9.22 -1.43 0
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49584 11533312 2 INOH6C7 ABCD6E7 26.92 0.28 -9.28 -1.94 0
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49585 11533313 2 N2O4H11C12 A2B4C11D12 -192.42 4.46 -8.78 -1.24 0