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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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86229 49883171 1 S2O3N6H24C28 A2B3C6D24E28 47.03 14.81 -8.8 -1.17 0
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86230 49883183 1 O2S2N4C13H18 A2B2C4D13E18 -18.76 3.12 -8.84 -0.46 0
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86231 49883189 1 BrO2S2N3C19H20 AB2C2D3E19F20 1.45 8.27 -8.72 -0.72 0
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86232 49883196 1 S2N3O4C22H25 A2B3C4D22E25 -98.3 2.35 -8.87 -0.51 0
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86233 49883200 1 SN4O5C24H26 AB4C5D24E26 -110.93 5.87 -9.1 -0.9 0
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86234 49883228 1 S2N3O4H19C25 A2B3C4D19E25 3.85 5.0 -9.23 -1.19 0
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86235 49883248 1 Cl2S2O3N4H20C21 A2B2C3D4E20F21 -32.71 9.68 -8.96 -0.79 0
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86236 49883312 1 S2O3N4C23H28 A2B3C4D23E28 -70.73 4.05 -8.64 -0.65 0
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86237 49883315 1 O3S3N5C19H21 A3B3C5D19E21 -13.82 3.47 -9.2 -0.89 0
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86238 49883321 1 S3N4O5C28H28 A3B4C5D28E28 -111.07 4.84 -8.58 -0.7 0
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86239 49883334 1 SO3N4C15H16 AB3C4D15E16 -24.39 4.01 -9.06 -0.71 0
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86240 49883352 1 SN3O3C24H27 AB3C3D24E27 -9.87 4.25 -8.61 -0.23 0
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86241 49883379 1 S2O3N5H21C22 A2B3C5D21E22 26.56 2.24 -9.11 -0.99 0
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86242 49883380 1 SN4O4C19H22 AB4C4D19E22 -62.84 4.03 -8.9 -0.59 0
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86243 49883414 1 FSO3N4C23H23 ABC3D4E23F23 -55.62 6.2 -8.86 -0.86 0
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86244 49883426 1 SN5O5H19C21 AB5C5D19E21 -1.21 9.94 -9.28 -1.23 0
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86245 49883433 1 SN4O4C24H26 AB4C4D24E26 -43.82 8.62 -8.22 -0.57 0
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86246 49883441 1 SN3O3C24H27 AB3C3D24E27 -13.68 4.1 -8.79 -0.24 0
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86247 49883443 1 SO3N4C23H24 AB3C4D23E24 -13.38 2.75 -8.71 -0.38 0
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86248 49883449 1 SN4O4H20C21 AB4C4D20E21 -42.47 2.13 -8.99 -0.55 0
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86249 49883457 1 SN4O4C22H22 AB4C4D22E22 -35.0 4.48 -8.42 -0.58 0
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86250 49883464 1 FSO3N4H19C21 ABC3D4E19F21 -41.64 4.64 -9.07 -1.01 0
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86251 49883474 1 SCl2O3N4H18C21 AB2C3D4E18F21 -9.61 6.83 -9.12 -0.99 0
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86252 49883494 1 SO3N4C18H22 AB3C4D18E22 -49.43 2.85 -8.98 -0.66 0
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86253 49883539 1 S2N4O5H24C26 A2B4C5D24E26 -86.8 6.68 -8.67 -1.12 0
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86254 49883551 1 SO3N4C21H22 AB3C4D21E22 -22.88 5.07 -8.91 -0.54 0
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86255 49883554 1 SN3O3C20H21 AB3C3D20E21 -15.65 5.5 -8.9 -0.54 0
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86256 49883560 1 S2O3N5H21C22 A2B3C5D21E22 -2.07 1.39 -8.89 -0.87 0
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86257 49883567 1 S2O3N5C19H21 A2B3C5D19E21 -25.58 4.62 -8.88 -0.76 0
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86258 49883578 1 S2N5O5C22H23 A2B5C5D22E23 -90.36 7.46 -9.12 -1.27 0
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86259 49883583 1 SO3N4C24H28 AB3C4D24E28 -50.0 6.14 -8.8 -0.55 0
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86260 49883597 1 SN3O4C16H19 AB3C4D16E19 -93.87 4.02 -9.02 -0.47 0
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86261 49883601 1 SCl2O3N4H18C20 AB2C3D4E18F20 -36.03 5.51 -9.04 -1.01 0
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86262 49883602 1 SN5O5H19C20 AB5C5D19E20 -21.18 9.77 -9.15 -1.43 0
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86263 49883606 1 SN3O3C22H25 AB3C3D22E25 -32.29 3.93 -8.87 -0.48 0
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86264 49883607 1 SN4O4C17H22 AB4C4D17E22 -89.42 4.89 -9.06 -0.68 0
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86265 49883608 1 SO3N4C18H24 AB3C4D18E24 -65.34 2.76 -8.84 -0.22 0
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86266 49883609 1 FSO3N4C22H23 ABC3D4E22F23 -75.43 5.79 -8.84 -0.81 0
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86267 49883612 1 SN4O5C23H26 AB4C5D23E26 -107.52 8.47 -8.58 -0.69 0
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86268 49883633 1 SO4N5C23H25 AB4C5D23E25 -79.5 2.36 -8.48 -0.81 0
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86269 49883638 1 SN3O4H17C19 AB3C4D17E19 -54.65 5.97 -8.95 -1.02 0
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86270 49883639 1 SO4N5C21H21 AB4C5D21E21 -62.17 3.19 -8.45 -0.92 0
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86271 49883640 1 SO3N7H19C23 AB3C7D19E23 75.64 2.29 -9.12 -1.01 0
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86272 49883651 1 SN3O3C23H27 AB3C3D23E27 -34.42 4.5 -8.67 -0.35 0
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86273 49883652 1 SO3N4C23H26 AB3C4D23E26 -35.46 4.57 -8.85 -0.82 0
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86274 49883655 1 SN4O5C24H28 AB4C5D24E28 -109.68 8.01 -8.32 -0.52 0
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86275 49883663 1 ClSN3O3C21H22 ABC3D3E21F22 -29.83 6.16 -8.91 -0.36 0
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86276 49883664 1 SO3N7C19H19 AB3C7D19E19 29.13 3.71 -8.85 -0.96 0
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86277 49883665 1 SN4O4C20H20 AB4C4D20E20 -67.76 4.26 -8.83 -0.84 0
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86278 49883718 1 SN4O4H18C19 AB4C4D18E19 15.13 5.59 -9.05 -1.61 0
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86279 49883725 1 SO2N4H18C20 AB2C4D18E20 52.41 4.99 -8.86 -0.85 0
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86280 49883726 1 ClSN3O3H18C20 ABC3D3E18F20 -17.89 3.52 -8.99 -1.13 0
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86281 49883748 1 SN4O4C22H22 AB4C4D22E22 -62.8 6.62 -8.95 -0.9 0
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86282 49883749 1 S2N4O5C21H22 A2B4C5D21E22 -106.92 3.2 -8.84 -0.78 0
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86283 49883766 1 SO3N4C17H20 AB3C4D17E20 -43.51 2.66 -8.81 -0.19 0
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86284 49883767 1 ClSN4O4C22H23 ABC4D4E22F23 -71.84 0.41 -8.57 -0.82 0
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86285 49883836 1 SO2N3C21H21 AB2C3D21E21 40.64 4.53 -8.78 -0.18 0
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86286 49883841 1 FSO3N4C21H21 ABC3D4E21F21 -67.71 4.73 -8.93 -0.75 0
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86287 49883842 1 S2O3N5H21C22 A2B3C5D21E22 -1.09 4.71 -8.99 -0.91 0
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86288 49883849 1 SN3O3C21H21 AB3C3D21E21 -20.84 1.82 -8.87 -0.67 0
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86289 49883852 1 S2O3N5H21C22 A2B3C5D21E22 7.18 6.22 -8.74 -1.2 0
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86290 49883914 1 S2N3O4C18H23 A2B3C4D18E23 -99.26 1.53 -9.2 -0.65 0
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86291 49883916 1 ClS2N4O4H23C27 AB2C4D4E23F27 -11.46 12.2 -9.2 -0.94 0
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86292 49883917 2 SN2O2C11H12 AB2C2D11E12 -54.04 4.68 -8.4 -0.66 0
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86293 49883920 1 S2N3O3C22H25 A2B3C3D22E25 -16.4 5.3 -8.55 -0.81 0
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86294 49883924 1 S2N3O4H19C20 A2B3C4D19E20 -53.48 7.94 -8.86 -0.92 0
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86295 49883932 1 S2O3N4C23H26 A2B3C4D23E26 -25.96 3.88 -8.59 -0.78 0
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86296 49883940 1 S3O4N5H21C25 A3B4C5D21E25 -1.89 9.98 -8.74 -0.85 0
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86297 49883943 2 SN2O2C11H12 AB2C2D11E12 -51.97 3.81 -8.57 -0.57 0
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86298 49883967 1 S2O3N4C25H30 A2B3C4D25E30 -33.96 7.26 -8.96 -0.98 0
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86299 49883969 1 S2O4N5C15H17 A2B4C5D15E17 -77.42 5.18 -9.13 -0.58 0
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86300 49883970 1 S3N5O6C24H27 A3B5C6D24E27 -126.62 6.36 -9.25 -1.1 0
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86301 49883973 1 S2N4O5H24C26 A2B4C5D24E26 -84.55 1.08 -9.2 -1.01 -1
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86302 49884004 1 BrClN2O2C14H17 ABC2D2E14F17 -27.58 5.22 0.0 0.0 -1
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86303 49884005 1 BrClN2S2O3C17H19 ABC2D2E3F17G19 -26.77 2.1 0.0 0.0 -1
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86304 49884006 1 ClFO2N3C29H30 ABC2D3E29F30 -27.6 5.94 0.0 0.0 -1
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86305 49884009 1 SBr2N2C12H13 AB2C2D12E13 60.99 3.56 0.0 0.0 -1
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86306 49884011 1 ClNC16H33 ABC16D33 -44.46 1.41 0.0 0.0 -1
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86307 49884014 1 ClSN2H14C16 ABC2D14E16 116.01 1.92 0.0 0.0 0
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86308 49884021 1 SO2N4C15H16 AB2C4D15E16 21.97 5.02 -9.07 -0.82 0
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86309 49884022 1 SN3O4C18H23 AB3C4D18E23 -111.69 3.2 -8.9 -0.48 0
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86310 49884023 1 SCl2O3N4H20C21 AB2C3D4E20F21 -42.19 4.5 -9.02 -0.92 0
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86311 49884026 1 SO3N4C23H26 AB3C4D23E26 -40.58 4.7 -8.71 -0.76 0
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86312 49884044 1 SN3O3C16H19 AB3C3D16E19 -55.53 1.68 -8.86 -0.22 0
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86313 49884047 1 SO3N4C23H26 AB3C4D23E26 -31.64 2.41 -8.82 -0.23 0
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86314 49884057 1 S2O3N5C23H25 A2B3C5D23E25 -24.4 4.96 -8.76 -0.99 0
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86315 49884064 1 SO3N4C24H28 AB3C4D24E28 -44.94 1.26 -8.86 -0.4 0
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86316 49884069 1 SO3N4C23H26 AB3C4D23E26 -42.83 2.53 -8.61 -0.7 0
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86317 49884078 1 SO3N4C25H30 AB3C4D25E30 -58.92 3.63 -8.42 -0.6 0
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86318 49884080 1 S2O3N5C24H25 A2B3C5D24E25 -14.15 3.14 -8.85 -0.79 0
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86319 49884085 1 SO3N4C25H30 AB3C4D25E30 -49.31 5.27 -8.83 -0.7 0
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86320 49884087 1 SO2N3C15H19 AB2C3D15E19 -19.52 4.75 -8.81 -0.1 0
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86321 49884088 1 SN3O4C17H21 AB3C4D17E21 -104.21 4.08 -8.89 -0.61 0
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86322 49884089 1 SN4O5C25H28 AB4C5D25E28 -127.12 3.99 -8.94 -0.79 0
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86323 49884090 1 SN4O5C25H28 AB4C5D25E28 -127.13 9.1 -9.14 -0.99 0
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86324 49884091 1 SO3N4C29H30 AB3C4D29E30 -2.98 8.2 -8.93 -0.43 0
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86325 49884093 1 S2N5O5C22H25 A2B5C5D22E25 -115.09 7.25 -9.01 -1.04 0
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86326 49884094 1 S2N5O5C23H25 A2B5C5D23E25 -92.53 6.88 -9.06 -1.05 0
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86327 49884102 1 S2O4N5C25H29 A2B4C5D25E29 -103.41 5.96 -8.71 -0.88 0
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86328 49884110 1 SCl2O3N4H20C21 AB2C3D4E20F21 -45.44 5.56 -9.02 -0.95 0