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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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80992 49854232 1 O2F3N5H16C17 A2B3C5D16E17 -136.96 3.83 -9.58 -1.23 0
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80993 49854233 4 NOC4H4 ABC4D4 -78.84 6.62 -9.5 -1.02 0
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80994 49854234 1 BrO2N5C17H18 AB2C5D17E18 -1.78 5.8 -9.29 -0.86 0
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80995 49854235 1 O3N4H20C24 A3B4C20D24 -29.95 5.6 -9.29 -0.88 1
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80996 49854236 1 SN4O6C41H45 AB4C6D41E45 -72.52 6.08 0.0 0.0 1
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80997 49854237 1 SO3N5C35H40 AB3C5D35E40 44.13 11.0 0.0 0.0 0
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80998 49854238 1 SN3O3C36H41 AB3C3D36E41 46.36 12.36 -7.29 -1.2 1
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80999 49854239 1 SN3O3C36H42 AB3C3D36E42 16.73 8.11 0.0 0.0 0
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81000 49854240 1 SN5O5C43H49 AB5C5D43E49 -22.67 19.82 -8.56 -2.16 1
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81001 49854241 1 SN5O5C43H50 AB5C5D43E50 -74.97 5.25 0.0 0.0 0
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81002 49854242 1 FeCl2N5C21H25 AB2C5D21E25 141.74 3.57 -8.33 -1.1 0
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81003 49854243 1 O12C31H42 A12B31C42 -499.06 3.35 -9.52 0.1 0
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81004 49854244 1 O2C17H34 A2B17C34 -165.08 2.14 -10.55 0.91 0
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81005 49854245 1 NO3C5H9 AB3C5D9 -127.84 1.48 -10.18 -0.73 0
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81006 49854246 1 ClSN5O5C22H26 ABC5D5E22F26 -138.99 9.23 -8.43 -0.44 0
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81007 49854247 1 ClSN5O5C22H26 ABC5D5E22F26 -133.35 8.08 -8.34 -0.44 0
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81008 49854248 1 ClSN5O5C23H28 ABC5D5E23F28 -150.05 4.57 -8.66 -0.64 0
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81009 49854249 1 ClSN5O6C21H24 ABC5D6E21F24 -165.14 2.49 -8.65 -0.78 0
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81010 49854250 1 ClSO4N5C22H26 ABC4D5E22F26 -96.34 2.34 -8.31 -0.54 0
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81011 49854251 1 SN6O12C35H44 AB6C12D35E44 -451.49 11.97 -9.28 -0.9 0
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81012 49854252 1 SN7O12C33H43 AB7C12D33E43 -460.31 8.21 -8.43 -0.67 0
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81013 49854253 1 S2N8O12C25H34 A2B8C12D25E34 -440.45 11.84 -9.44 -1.46 0
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81014 49854254 1 S2N8O13C25H34 A2B8C13D25E34 -426.75 8.94 -8.83 -1.67 0
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81015 49854255 1 SN4O5H22C23 AB4C5D22E23 -74.12 8.49 -9.0 -1.14 0
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81016 49854256 1 SN4O5C24H24 AB4C5D24E24 -78.52 5.97 -9.0 -1.21 0
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81017 49854257 1 SN4O5C25H26 AB4C5D25E26 -85.72 3.51 -8.98 -1.14 0
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81018 49854258 1 SN4O5C24H24 AB4C5D24E24 -73.97 4.4 -9.25 -1.12 0
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81019 49854259 1 SN4O5C25H26 AB4C5D25E26 -75.94 4.86 -9.31 -1.1 0
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81020 49854260 1 SO2N8C21H30 AB2C8D21E30 -26.45 7.57 -8.15 -0.69 0
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81021 49854261 1 SO2N7C25H29 AB2C7D25E29 -6.46 5.77 -8.34 -0.93 0
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81022 49854262 1 SO2N6C18H22 AB2C6D18E22 -20.29 2.5 -8.98 -1.18 0
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81023 49854263 1 SO2N6C18H22 AB2C6D18E22 -21.01 2.49 -9.03 -1.23 0
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81024 49854264 1 SO3N7C19H25 AB3C7D19E25 -76.95 3.44 -8.41 -1.06 0
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81025 49854265 1 SO3N7C19H25 AB3C7D19E25 -73.45 3.28 -8.53 -1.07 0
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81026 49854266 1 N3O10C43H43 A3B10C43D43 -325.25 7.57 -9.7 -1.45 0
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81027 49854267 1 ClN2O3C22H25 AB2C3D22E25 -108.6 0.97 -8.86 -0.45 0
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81028 49854268 1 ClN2O3C23H27 AB2C3D23E27 -112.14 5.35 -8.93 -0.47 0
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81029 49854269 1 N2O3C23H28 A2B3C23D28 -101.84 2.39 -8.89 -0.14 0
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81030 49854270 2 NO2C12H15 AB2C12D15 -142.78 2.69 -8.77 -0.03 0
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81031 49854271 1 FN2O4C24H29 AB2C4D24E29 -195.29 4.48 -8.67 -0.08 0
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81032 49854272 1 N2O2C19H20 A2B2C19D20 -35.08 2.75 -8.33 -0.08 0
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81033 49854273 1 ON2C19H20 AB2C19D20 -4.95 4.32 -8.01 0.02 0
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81034 49854274 1 ON3C17H19 AB3C17D19 1.31 5.09 -8.11 0.08 0
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81035 49854275 1 ON3H15C18 AB3C15D18 42.0 4.75 -9.08 -0.58 0
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81036 49854276 1 ON3H13C16 AB3C13D16 29.9 1.75 -8.97 -0.24 0
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81037 49854277 1 ON2C19H22 AB2C19D22 -6.68 3.06 -8.03 -0.05 2
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81039 49854279 1 ClSO2N3C6H14 ABC2D3E6F14 -126.96 8.99 -8.99 -0.09 0
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81040 49854280 1 SN5O5H27C28 AB5C5D27E28 -94.91 8.26 -8.41 -1.67 0
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81041 49854281 1 SF2O4N5H23C27 AB2C4D5E23F27 -148.66 10.8 -8.88 -1.72 0
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81042 49854282 1 FSO4N5H24C27 ABC4D5E24F27 -98.03 8.41 -8.95 -1.66 0
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81043 49854283 1 FSO4N5H24C27 ABC4D5E24F27 -102.19 10.42 -8.84 -1.65 0
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81044 49854284 1 SO4N6H24C28 AB4C6D24E28 -25.78 12.55 -9.04 -1.71 0
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81045 49854285 1 Cl2N3O4C40H57 A2B3C4D40E57 -199.49 6.73 -8.74 -0.79 0
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81046 49854286 1 N3O5C32H37 A3B5C32D37 -144.59 3.86 -8.51 -0.39 0
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81047 49854287 1 N3O5C35H43 A3B5C35D43 -137.48 4.61 -8.59 0.0 0
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81048 49854288 1 N3O5C39H51 A3B5C39D51 -175.27 3.07 -8.54 -0.37 0
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81049 49854289 1 OF3N3C14H24 AB3C3D14E24 -228.96 4.6 -9.11 1.1 0
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81050 49854290 1 ON3C20H37 AB3C20D37 -89.85 3.65 -8.14 1.31 0
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81051 49854291 1 ON3C15H29 AB3C15D29 -83.5 2.21 -8.96 1.24 0
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81052 49854292 1 ON3C15H29 AB3C15D29 -80.87 2.44 -8.92 1.26 0
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81053 49854293 1 N3O3C14H25 A3B3C14D25 -162.08 0.85 -9.13 0.78 0
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81054 49854294 1 N3O3C13H23 A3B3C13D23 -148.52 4.59 -9.2 0.63 0
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81055 49854295 1 ON3C12H25 AB3C12D25 -70.23 2.97 -9.09 1.2 0
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81056 49854296 1 F3O3N4C19H21 A3B3C4D19E21 -227.1 4.17 -8.91 -0.26 0
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81057 49854297 1 O3F4N4H18C19 A3B4C4D18E19 -269.03 4.33 -9.19 -0.98 0
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81058 49854298 1 O2N4F5C19H19 A2B4C5D19E19 -286.94 2.38 -9.09 -0.96 0
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81059 49854299 1 O2N4F5C19H19 A2B4C5D19E19 -286.26 2.15 -9.12 -0.56 0
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81060 49854300 1 O2N4F6H18C19 A2B4C6D18E19 -324.92 1.4 -9.17 -1.0 0
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81061 49854302 1 O3N6H22C24 A3B6C22D24 68.17 4.06 -8.76 -1.36 0
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81062 49854304 1 BrO2N5H18C20 AB2C5D18E20 60.69 5.28 -8.72 -1.27 0
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81063 49854306 1 SN3O5C21H27 AB3C5D21E27 -125.09 4.56 -9.37 -0.38 0
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81064 49854307 1 SN3O5C20H25 AB3C5D20E25 -119.89 7.46 -9.11 -0.51 0
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81065 49854308 1 O3N5C36H37 A3B5C36D37 -3.9 7.21 -8.76 -0.87 0
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81066 49854309 1 O2N3C34H37 A2B3C34D37 -7.28 4.82 -8.53 -0.3 0
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81067 49854310 1 O3N4H30C32 A3B4C30D32 -22.8 7.21 -9.19 -1.0 0
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81068 49854311 1 O4N6H26C29 A4B6C26D29 -33.18 8.29 -9.13 -0.95 0
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81069 49854312 1 O4N5C25H25 A4B5C25D25 -99.13 6.59 -9.15 -0.88 0
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81070 49854313 1 OF3N3C23H24 AB3C3D23E24 -126.99 2.66 -8.52 -1.09 0
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81071 49854314 1 ON2C19H28 AB2C19D28 -18.35 1.47 -8.17 0.32 0
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81072 49854315 1 SO2N3C24H31 AB2C3D24E31 -20.17 6.86 -8.06 -0.56 0
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81073 49854316 1 ON2C17H24 AB2C17D24 1.75 2.42 -8.59 0.15 0
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81074 49854317 1 ON2C17H24 AB2C17D24 -3.71 1.2 -8.37 0.28 0
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81075 49854318 1 FON2C15H19 ABC2D15E19 -39.2 1.86 -8.87 -0.22 0
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81076 49854321 1 O4N5C23H31 A4B5C23D31 -120.55 6.67 -8.94 -0.44 0
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81077 49854322 1 N4O5C19H24 A4B5C19D24 -149.06 6.87 -9.03 -0.51 0
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81078 49854323 1 O3N4C19H22 A3B4C19D22 -74.09 7.38 -9.16 -0.1 0
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81079 49854325 1 O3N5C21H27 A3B5C21D27 -66.77 2.72 -8.81 -0.27 0
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81080 49854326 1 ON4H14C16 AB4C14D16 30.48 6.24 -8.9 -0.98 0
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81081 49854327 1 O3N4C22H24 A3B4C22D24 -88.48 4.79 -9.1 -0.85 0
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81082 49854328 1 ON4H16C17 AB4C16D17 22.21 5.8 -8.96 -0.91 0
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81083 49854329 1 O3N4H20C24 A3B4C20D24 -27.26 8.12 -9.24 -0.77 0
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81084 49854330 1 ON4H14C16 AB4C14D16 35.92 8.12 -9.39 -0.9 1
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81085 49854333 1 N2O2S2C32H35 A2B2C2D32E35 4.9 2.26 0.0 0.0 0
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81086 49854334 1 N2S2O4C37H42 A2B2C4D37E42 -76.13 19.3 -8.09 -1.84 1
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81087 49854335 1 N2S2O4C37H43 A2B2C4D37E43 -118.89 4.88 0.0 0.0 2
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81088 49854337 1 S2N3O5C38H45 A2B3C5D38E45 -112.13 9.28 -7.63 -0.41 0
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81089 49854338 1 SN5O7C57H61 AB5C7D57E61 -88.4 17.31 -8.6 -2.13 1
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81090 49854339 1 SN5O7C57H62 AB5C7D57E62 -112.92 10.32 0.0 0.0 0
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81091 49854342 1 ClSN5O6C21H24 ABC5D6E21F24 -161.4 5.76 -8.23 -0.41 0
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81092 49854343 1 ClSO5N6C24H27 ABC5D6E24F27 -111.49 2.3 -8.69 -0.65 0