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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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159393 57269800 1 ClSO4N8C19H25 ABC4D8E19F25 -65.22 3.97 -8.45 -0.61 0
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159394 57269801 2 NC11H24 AB11C24 -85.03 3.11 -8.72 3.05 0
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159395 57269808 1 N5C11H15 A5B11C15 103.7 1.59 -10.02 -2.36 0
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159396 57269811 1 SBr2C3H4 AB2C3D4 16.27 1.11 -9.32 -1.23 0
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159397 57269813 1 O3C37H58 A3B37C58 -182.67 2.39 -9.04 -0.69 0
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159398 57269815 1 OCl2H8C11 AB2C8D11 -27.76 4.56 -9.95 -1.45 0
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159399 57269816 1 N2C9H14 A2B9C14 49.65 3.43 -9.8 0.78 0
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159400 57269827 1 Cl2N3O8H15C19 A2B3C8D15E19 -194.4 2.23 -10.05 -1.21 0
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159401 57269833 2 FC3H3 AB3C3 -79.82 1.11 -9.65 0.67 2
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159402 57269840 2 NO5C23H33 AB5C23D33 -410.2 8.79 -6.16 -0.64 0
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159403 57280000 1 N3O3C22H23 A3B3C22D23 1.83 4.99 -8.81 -1.43 0
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159404 57280009 1 O5C24H40 A5B24C40 -272.12 2.98 -9.04 0.43 0
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159405 57280010 1 OSN2C6H14 ABC2D6E14 -54.67 4.27 -9.04 0.45 0
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159406 57280011 1 OPSC2H5 ABCD2E5 -39.12 3.36 -9.51 -0.24 0
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159407 57280017 1 BrNO2C21H24 ABC2D21E24 -48.0 3.95 -8.18 -0.44 0
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159408 57280019 1 O6C19H20 A6B19C20 -225.12 7.39 -9.03 -0.65 0
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159409 57280025 1 N2S2O3C25H38 A2B2C3D25E38 -22.02 4.02 -8.28 -0.9 0
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159410 57280026 1 PSiO2C15H19 ABC2D15E19 -213.66 5.18 -8.74 -0.34 0
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159411 57280027 1 NO5H17C19 AB5C17D19 -73.67 3.89 -9.19 -0.89 0
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159412 57280038 1 NO5C25H43 AB5C25D43 -273.6 4.67 -9.24 -0.92 0
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159413 57280040 2 NOC4H4 ABC4D4 -16.4 2.59 -9.38 -0.85 0
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159414 57280043 1 FN2O3C25H27 AB2C3D25E27 -111.76 2.84 -9.11 -0.64 0
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159415 57280060 1 N3O3C6H17 A3B3C6D17 -136.37 1.49 -9.88 1.29 0
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159416 57280107 1 BrNPS2O3C4H7 ABCD2E3F4G7 -194.81 6.35 -9.09 -1.75 0
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159417 57280116 1 ClNO2C26H36 ABC2D26E36 -83.97 4.64 -8.32 -0.24 0
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159418 57280118 1 C9H14 A9B14 48.14 1.53 -7.94 0.7 0
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159419 57280120 1 O7C18H32 A7B18C32 -361.96 3.3 -10.47 -0.09 0
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159420 57280122 2 H3O3C8 A3B3C8 -38.69 8.06 -10.22 -2.56 0
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159421 57280123 1 N3C10H11 A3B10C11 53.64 3.3 -8.43 -0.38 0
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159422 57280125 1 BrNH10C11 ABC10D11 34.08 1.88 -8.6 -0.15 0
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159423 57280126 1 N2O3C15H20 A2B3C15D20 -113.57 7.38 -8.7 -0.79 0
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159424 57280128 2 C2O2H3 A2B2C3 -167.1 3.84 -10.96 0.27 0
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159425 57280129 1 NO2C19H23 AB2C19D23 -34.53 2.89 -8.81 -0.46 0
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159426 57280138 1 NOC16H21 ABC16D21 -16.42 3.71 -8.84 0.44 0
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159427 57280139 1 FC26H39 AB26C39 -82.85 2.14 -9.32 0.06 0
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159428 57280140 1 O3N6C44H44 A3B6C44D44 181.11 7.34 -8.75 -0.72 0
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159429 57280141 2 NO2C11H20 AB2C11D20 -248.61 4.66 -9.6 0.2 0
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159430 57280143 1 NOC11H15 ABC11D15 -48.4 4.71 -9.37 0.1 0
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159431 57280146 1 N5O5C35H37 A5B5C35D37 -40.49 3.03 -9.27 -1.03 0
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159432 57280148 1 OC35H52 AB35C52 -72.04 3.37 -8.98 -0.68 0
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159433 57280156 1 N3H9C11 A3B9C11 93.85 1.29 -9.36 -0.75 0
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159434 57280159 1 SO3C19H32 AB3C19D32 -171.24 4.57 -8.68 0.38 0
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159435 57280162 1 ClNO3C11H12 ABC3D11E12 -117.83 4.01 -9.65 -0.91 0
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159436 57280163 1 N3O5C24H33 A3B5C24D33 -159.69 7.14 -8.66 -0.24 0
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159437 57280166 1 NSO2C4H7 ABC2D4E7 -60.35 3.57 -9.15 -0.72 0
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159438 57280170 1 O2C13H14 A2B13C14 -24.75 2.39 -9.81 -0.51 0
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159439 57280172 1 ON4H14C17 AB4C14D17 131.62 6.07 -8.92 -0.67 0
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159440 57280178 1 SN6O8C40H46 AB6C8D40E46 -196.37 6.14 -8.2 -0.82 0
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159441 57280180 1 NO3C19H27 AB3C19D27 -143.3 4.77 -9.24 0.18 0
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159442 57280189 1 NPC2O2H6 ABC2D2E6 -88.83 4.47 -10.13 0.47 0
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159443 57280196 1 O3C16H22 A3B16C22 -135.4 2.2 -8.86 0.26 0
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159444 57280199 1 ClON2C12H23 ABC2D12E23 -69.22 4.65 -8.57 -0.23 0
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159445 57280203 1 O2N7H19C20 A2B7C19D20 112.68 7.99 -8.78 -1.53 0
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159446 57280206 1 INOC9H12 ABCD9E12 -25.97 3.02 -9.25 -0.78 0
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159447 57280209 1 NSiC15H23 ABC15D23 -21.18 2.41 -8.4 0.12 0
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159448 57280210 4 C5H7 A5B7 -8.41 1.38 -8.75 0.5 0
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159449 57280212 1 OSiCl2C4H9 ABC2D4E9 -95.77 2.44 0.0 0.0 0
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159450 57280213 1 BrN2O3C5H7 AB2C3D5E7 -78.15 4.85 -9.52 -1.08 0
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159451 57280215 1 SN2F3O3H19C21 AB2C3D3E19F21 -204.66 7.7 -8.93 -1.14 0
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159452 57280218 1 ClFSO3N5C28H29 ABCD3E5F28G29 -106.6 6.31 -8.57 -1.08 0
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159453 57280228 1 OC11H20 AB11C20 -75.32 2.07 -9.15 1.54 0
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159454 57280232 1 NO5C18H33 AB5C18D33 -299.81 2.77 -9.6 0.69 1
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159455 57280234 1 S3N4H9C13 A3B4C9D13 126.68 2.28 0.0 0.0 0
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159456 57280235 1 ClNO5C24H28 ABC5D24E28 -199.45 9.6 -9.17 -0.83 0
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159457 57280236 1 SO3N5C10H19 AB3C5D10E19 -109.91 2.48 -9.2 -0.38 0
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159458 57280237 1 N3O3H25C28 A3B3C25D28 -12.3 6.76 -8.49 -0.77 0
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159459 57280240 2 O3C8H9 A3B8C9 -226.17 4.39 -11.03 -0.75 0
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159460 57280242 1 NSO5C8H15 ABC5D8E15 -200.4 2.15 -9.38 -0.19 0
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159461 57280244 1 HNSC2O2F6 ABCD2E2F6 -385.59 2.13 -12.33 -1.82 0
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159462 57280251 1 NO4C21H29 AB4C21D29 -172.03 5.65 -9.01 -0.22 0
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159463 57280254 1 SN2O6H12C13 AB2C6D12E13 -134.8 6.66 -9.92 -1.79 0
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159464 57280257 1 N3S3O8H23C33 A3B3C8D23E33 -115.77 10.09 -8.62 -1.15 0
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159465 57280258 1 BrON2C30H31 ABC2D30E31 33.09 3.06 -8.32 -0.16 0
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159466 57280269 1 NS2O5C16H19 AB2C5D16E19 -140.53 10.22 -9.28 -0.79 0
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159467 57280271 1 N2O4H18C19 A2B4C18D19 -86.69 8.88 -7.72 -1.0 0
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159468 57280273 2 NOC9H11 ABC9D11 -42.8 3.09 -8.96 -0.27 0
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159469 57280274 2 OC16H32 AB16C32 -231.88 1.72 -10.26 0.96 0
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159470 57287806 1 O2C21H32 A2B21C32 -105.11 4.21 -9.21 0.35 0
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159471 57287809 2 NO2C13H22 AB2C13D22 -161.66 6.79 -8.82 -0.63 1
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159472 57288085 1 N3O4C9H12 A3B4C9D12 -120.93 2.97 0.0 0.0 0
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159473 57288107 1 NSO4C10H19 ABC4D10E19 -203.52 5.43 -9.54 -0.15 0
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159474 57288108 1 N2S3O12H14C18 A2B3C12D14E18 -346.68 9.04 -9.79 -2.29 0
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159475 57288122 1 O2N4C19H24 A2B4C19D24 -21.94 6.25 -9.96 -0.88 0
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159476 57288125 1 NS4C34H55 AB4C34D55 -36.05 2.03 -8.06 -0.33 0
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159477 57288134 1 SN2O5C24H24 AB2C5D24E24 -85.81 8.16 -9.3 -0.9 0
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159478 57288138 1 O3C11H24 A3B11C24 -185.48 1.99 -10.14 1.77 0
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159479 57288140 1 N3O3C14H23 A3B3C14D23 -138.49 5.27 -8.88 -0.7 0
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159480 57288146 1 F3O3H9C14 A3B3C9D14 -196.68 4.6 -9.16 -1.0 0
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159481 57288148 1 O3H22C23 A3B22C23 -45.48 1.33 -8.64 -0.08 0
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159482 57288150 1 SN2O7H20C25 AB2C7D20E25 -183.56 3.39 -9.15 -1.4 -1
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159483 57288158 1 ClSC3O3H4 ABC3D3E4 -63.7 0.84 0.0 0.0 0
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159484 57288161 2 OSC3H5 ABC3D5 -87.54 4.61 -9.34 -1.61 0
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159485 57288165 1 O2N3H11C16 A2B3C11D16 53.58 4.24 -10.08 -1.08 1
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159486 57288167 1 N2O2C9H9 A2B2C9D9 12.35 3.72 0.0 0.0 0
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159487 57288169 1 N2O3C11H12 A2B3C11D12 -29.3 7.13 -9.82 -1.39 0
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159488 57288171 2 NSO4C12H13 ABC4D12E13 -237.42 3.51 -8.96 -1.08 0
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159489 57288190 1 O6N8C17H18 A6B8C17D18 -36.57 5.26 -9.29 -1.51 0
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159490 57288195 2 N4C11H14 A4B11C14 142.99 4.33 -7.64 -0.15 1
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159491 57288197 1 PO6C14H14 AB6C14D14 -234.48 1.3 0.0 0.0 0
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159492 57288211 2 OC8H11 AB8C11 -82.9 6.82 -9.69 -0.75 1