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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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149378 53789050 1 ClSO3H7C8 ABC3D7E8 -72.66 1.7 -8.99 -0.41 0
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149379 53789051 1 NOSiC6H14 ABCD6E14 14.64 2.77 0.0 0.0 0
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149380 53789052 1 NP2O6C46H61 AB2C6D46E61 -249.92 3.21 -8.58 0.04 0
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149381 53789053 2 O3C4H7 A3B4C7 -167.31 7.96 -10.46 -1.43 0
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149383 53789055 1 N2O5C16H20 A2B5C16D20 -197.76 3.09 -9.59 -0.04 0
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149384 53789056 2 NH6C7 AB6C7 95.54 3.75 -8.94 -1.03 0
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149385 53789057 1 N4O6C23H28 A4B6C23D28 -110.64 5.43 -8.94 -1.75 0
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149386 53789058 1 PC5O6H9 AB5C6D9 -312.53 0.53 -10.47 -0.06 0
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149387 53789059 2 NO4C16H20 AB4C16D20 -265.55 2.26 -8.79 -0.79 0
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149388 53789060 1 NSO3C13H17 ABC3D13E17 -98.76 9.56 -9.4 -0.96 0
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149389 53789061 1 NSO2H11C12 ABC2D11E12 -30.07 4.19 -9.4 -1.19 0
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149390 53789062 1 O2N4C19H24 A2B4C19D24 -39.47 4.88 -8.39 -0.14 0
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149391 53789063 1 NO2Br3H10C15 AB2C3D10E15 -29.92 5.0 -8.97 -1.06 0
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149392 53789064 1 N3O6C11H13 A3B6C11D13 -91.36 3.18 -9.33 -1.42 0
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149393 53789065 1 FNC27H32 ABC27D32 -8.8 5.22 -9.35 -0.74 0
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149394 53789066 1 N3C8H9 A3B8C9 52.91 6.74 -9.02 -0.43 0
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149395 53789067 1 S2C18O23H32 A2B18C23D32 -978.67 5.93 -10.54 -1.97 0
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149396 53789068 1 FO7C16H19 AB7C16D19 -288.75 6.55 -9.42 -0.69 0
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149397 53789069 1 O4C15H30 A4B15C30 -248.66 2.53 -10.43 0.43 0
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149398 53789070 1 BrNO3C18H18 ABC3D18E18 -77.1 4.0 -9.51 -0.7 0
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149399 53789071 1 OF2N2C8H18 AB2C2D8E18 -174.84 1.5 -9.69 1.72 0
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149400 53789073 1 SN2O2C21H32 AB2C2D21E32 -86.01 5.21 -9.41 -0.45 0
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149401 53789074 1 ClSN3O4C25H30 ABC3D4E25F30 -131.0 9.81 -9.53 -0.82 0
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149402 53789075 2 PO6C68H109 AB6C68D109 -611.16 9.96 -8.14 -1.4 0
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149403 53789076 1 ON4C14H20 AB4C14D20 26.83 4.42 -7.41 -0.51 0
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149404 53789077 1 SN3C13H15 AB3C13D15 61.34 2.1 -8.5 -0.59 0
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149405 53789078 1 SiO2N8C32H53 AB2C8D32E53 -34.24 5.39 0.0 0.0 0
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149406 53789079 1 N5O6C36H49 A5B6C36D49 -244.19 4.02 -9.3 -0.57 0
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149407 53789080 1 SN4C6H8 AB4C6D8 77.58 2.66 -8.92 -1.27 0
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149408 53789081 1 NO2C17H27 AB2C17D27 -108.2 2.29 -8.47 0.37 0
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149409 53789082 1 OPN3C12H28 ABC3D12E28 -113.21 3.39 -8.88 1.26 0
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149410 53789083 1 N3O5C28H33 A3B5C28D33 -133.61 4.96 -8.54 -0.15 0
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149411 53789084 2 OSiN4C34H66 ABC4D34E66 -375.17 2.01 -8.55 1.16 0
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149412 53789085 1 O3C17H18 A3B17C18 -99.41 6.41 -9.23 -0.59 0
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149413 53789086 1 FN2O2C25H33 AB2C2D25E33 -109.77 3.37 -8.88 -0.03 0
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149414 53789087 1 OC24H34 AB24C34 -26.36 1.05 -9.41 0.93 0
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149415 53789088 1 F3O3N5H16C25 A3B3C5D16E25 -88.59 6.64 -9.01 -1.54 0
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149416 53789089 1 NSO3C12H15 ABC3D12E15 -75.37 1.95 -9.02 -0.4 0
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149417 53789090 1 NSO3C12H15 ABC3D12E15 -75.28 1.84 -8.76 -0.25 0
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149418 53789091 1 FSN3O3C23H24 ABC3D3E23F24 -103.61 3.77 -8.74 -0.89 0
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149419 53789092 1 BrNSO3H4C7 ABCD3E4F7 -64.06 4.57 -8.92 -1.0 0
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149420 53789093 1 ON3C9H13 AB3C9D13 -12.35 5.56 -8.78 -0.02 0
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149421 53789094 2 NO2C13H15 AB2C13D15 -120.21 2.7 -7.56 -0.03 1
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149422 53789095 1 SO3N5C20H28 AB3C5D20E28 -12.87 6.31 0.0 0.0 0
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149423 53789096 1 SN2C11H20 AB2C11D20 5.17 4.22 -9.03 0.32 0
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149424 53789097 1 NO6C24H39 AB6C24D39 -303.32 6.23 -9.89 0.21 0
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149425 53789098 1 S2O8C11H20 A2B8C11D20 -358.14 2.0 -9.58 -0.3 0
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149426 53789099 1 S2O8C11H20 A2B8C11D20 -355.51 4.65 -9.41 -0.25 0
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149427 53789100 2 NO3H4C5 AB3C4D5 -58.1 4.25 -11.28 -2.25 0
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149428 53789101 1 ON2H24C35 AB2C24D35 149.75 0.94 -8.27 -1.0 0
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149429 53789102 2 PC3O5H7 AB3C5D7 -530.91 4.85 -10.02 0.33 0
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149430 53789103 1 ClO6C8H13 AB6C8D13 -287.23 4.44 -10.67 -0.07 0
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149431 53789104 1 ClS2N4O4C13H17 AB2C4D4E13F17 -101.14 8.89 -9.37 -1.32 0
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149432 53789105 1 BrFON7H21C25 ABCD7E21F25 84.51 6.04 -8.47 -0.86 0
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149433 53789106 1 N2S2O5C8H16 A2B2C5D8E16 -165.73 5.25 -8.85 -0.46 0
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149434 53789107 1 NO2C32H65 AB2C32D65 -218.52 2.22 -8.72 0.86 0
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149435 53789108 1 PCl4N4O6C33H45 AB4C4D6E33F45 -335.91 8.83 -8.96 -1.1 0
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149436 53789109 1 SN6O6C59H66 AB6C6D59E66 -106.34 8.69 -9.06 -0.87 0
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149437 53789110 1 O2Br3H7C8 A2B3C7D8 -46.9 1.33 -9.43 -1.87 0
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149438 53789111 1 ON2C22H24 AB2C22D24 43.02 3.67 -9.3 0.0 0
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149439 53789112 1 O4C27H28 A4B27C28 -94.5 2.77 -8.5 -0.15 0
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149440 53789113 1 ClNO3C17H20 ABC3D17E20 -90.5 2.25 -8.52 -0.55 0
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149441 53789114 1 N2O5C18H28 A2B5C18D28 -227.34 3.47 -10.15 -0.34 0
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149442 53789115 1 SO5C30H54 AB5C30D54 -325.43 4.66 -9.36 -0.3 0
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149443 53789116 1 ON3C23H33 AB3C23D33 12.21 2.85 -8.54 -1.34 0
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149444 53789117 1 ON2H14C17 AB2C14D17 49.71 2.01 -8.45 -1.26 0
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149445 53789118 1 NOF2Cl4H9C14 ABC2D4E9F14 -109.1 2.18 -9.67 -0.85 0
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149446 53789119 1 ClNO5C19H20 ABC5D19E20 -167.62 4.13 -10.05 -1.2 0
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149447 53789120 1 NSO2C10H11 ABC2D10E11 -34.93 1.82 -8.71 -0.55 0
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149448 53789121 1 NO2S2C11H11 AB2C2D11E11 -44.3 6.75 -9.09 -0.93 0
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149449 53789122 1 F2N2O5C26H26 A2B2C5D26E26 -222.36 3.19 -8.83 -0.33 0
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149450 53789123 1 NO5C23H33 AB5C23D33 -199.51 4.0 -8.79 -0.74 0
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149451 53789124 1 FO4N7C29H30 AB4C7D29E30 -97.58 6.41 -8.99 -1.07 0
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149452 53789125 1 N2C17H26 A2B17C26 7.93 2.8 -8.79 0.41 0
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149453 53789126 1 NO4C16H31 AB4C16D31 -232.73 2.21 -10.18 0.3 0
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149454 53789127 1 N3O3C22H35 A3B3C22D35 -148.1 4.46 -8.83 -0.1 0
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149455 53789128 1 ClFNO3H5C10 ABCD3E5F10 -63.82 6.14 -9.78 -1.15 0
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149456 53789129 2 Br2C3H4 A2B3C4 -14.36 4.22 -10.34 -1.24 0
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149457 53789130 1 NO4C23H23 AB4C23D23 -46.53 4.5 -8.72 -1.09 0
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149458 53789131 1 ClN2O2H19C20 AB2C2D19E20 -34.76 4.76 -8.36 -0.59 0
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149459 53789132 1 PO6C23H31 AB6C23D31 -318.11 3.25 -8.78 -0.41 0
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149460 53789133 1 SN2O4H12C14 AB2C4D12E14 -109.83 1.73 -10.27 -1.12 0
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149461 53789134 1 BrSN2O3C24H25 ABC2D3E24F25 -64.06 2.08 -8.45 -0.94 0
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149462 53789135 1 SF3C12H13 AB3C12D13 -144.84 2.64 -8.69 -0.21 0
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149463 53789136 2 O4C17H22 A4B17C22 -332.42 4.6 -9.68 -0.52 0
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149464 53789137 1 O3C10H16 A3B10C16 -141.96 3.41 -10.08 -0.16 0
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149465 53789138 1 O5C24H28 A5B24C28 -187.99 5.32 -9.76 -0.18 0
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149466 53789139 1 N2O3C21H24 A2B3C21D24 -35.95 3.07 -9.01 -0.55 0
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149467 53789140 2 NC11H12 AB11C12 64.65 0.68 -8.66 -0.37 0
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149468 53789141 1 SN3O7C36H41 AB3C7D36E41 -183.17 6.79 -8.6 -0.95 0
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149469 53789142 2 SN3O3H5C7 AB3C3D5E7 -37.14 9.4 -9.24 -1.48 0
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149470 53789143 1 ClOS2H9C15 ABC2D9E15 31.61 5.92 -8.96 -1.82 1
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149471 53789144 1 SN3O7C21H34 AB3C7D21E34 -157.16 5.05 0.0 0.0 0
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149472 53789145 1 OSN3C22H29 ABC3D22E29 -19.48 5.0 -8.44 -0.13 0
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149473 53789146 20 CH AB 77.36 0.28 -9.12 -0.11 0
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149474 53789147 1 Cl2N3O3C21H23 A2B3C3D21E23 -96.94 0.84 -8.74 -0.95 0
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149475 53789148 1 OC11H18 AB11C18 -42.73 4.77 -9.35 -0.15 0
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149476 53789149 1 ClNOSC21H22 ABCDE21F22 -23.31 2.45 -9.14 -0.64 0
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149477 53789150 1 NO2C11H21 AB2C11D21 -106.88 2.41 -9.59 -0.07 0
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149478 53789151 1 SN2O4H14C18 AB2C4D14E18 -77.71 2.76 -10.08 -2.03 0