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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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406230 135076979 1 CrO6C13H14 AB6C13D14 -64.24 1.74 -7.2 0.21 0
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406231 135076980 1 CrOC8H14 ABC8D14 30.86 0.72 -7.35 0.81 0
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406232 135076981 1 CrO6H16C19 AB6C16D19 73.94 0.89 -7.16 -0.7 0
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406233 135076982 1 CrOC14H16 ABC14D16 19.77 1.89 -7.78 -0.82 0
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406234 135076983 1 NC10H19 AB10C19 0.82 3.69 -10.71 2.47 1
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406235 135076984 1 NO2C16H24 AB2C16D24 -52.33 1.36 0.0 0.0 0
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406236 135076985 1 N2O3C15H16 A2B3C15D16 -37.2 4.54 -9.17 -0.56 0
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406237 135076986 1 O3N5C20H23 A3B5C20D23 -17.61 9.04 -9.5 -1.29 0
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406238 135076987 1 N5O5C19H35 A5B5C19D35 -219.75 7.16 -9.81 -0.21 0
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406239 135076988 1 N5O5C28H35 A5B5C28D35 -141.79 6.74 -9.56 -0.44 0
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406240 135076989 1 N4O4C17H24 A4B4C17D24 -103.97 8.64 -8.56 -0.21 0
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406241 135076990 2 O3C14H22 A3B14C22 -345.71 10.94 -9.44 0.01 0
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406242 135076991 2 O3C7H11 A3B7C11 -280.72 1.56 -10.52 -0.29 0
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406243 135076992 1 BrNSO2C10H10 ABCD2E10F10 -52.0 1.73 -8.64 -0.87 0
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406244 135076993 1 S2O3C15H22 A2B3C15D22 -131.34 4.77 -8.83 -1.26 0
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406245 135076994 1 CrNSiO7C30H35 ABCD7E30F35 -144.29 4.88 -7.02 -0.29 0
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406246 135076995 1 CrNSiO2C25H35 ABCD2E25F35 57.13 0.65 -7.06 0.1 0
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406247 135076996 1 CrNO6C22H27 ABC6D22E27 -111.27 1.71 -6.68 0.71 0
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406248 135076997 1 CrNOC17H27 ABCD17E27 -38.91 3.04 -7.02 0.46 0
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406249 135076998 1 CrO8C17H22 AB8C17D22 -274.9 3.33 -7.76 0.11 0
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406250 135076999 1 CrO3C12H22 AB3C12D22 -139.15 2.07 -7.44 0.3 0
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406251 135077000 1 CrNO6C16H21 ABC6D16E21 -182.99 3.14 -8.13 0.03 0
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406252 135077001 1 CrNOC11H21 ABCD11E21 -91.19 6.26 -7.53 -0.19 0
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406253 135077002 1 CrO8C21H22 AB8C21D22 -227.97 4.74 -8.35 -0.43 0
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406254 135077003 1 CrO3C16H22 AB3C16D22 1.44 0.53 -6.92 0.18 0
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406255 135077004 1 CuLiOC14H28 ABCD14E28 106.14 11.38 -2.62 0.45 0
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406256 135077006 1 BrO5C13H15 AB5C13D15 -179.59 0.91 -9.68 -1.49 0
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406257 135077007 1 SSiBr2C9H12 ABC2D9E12 10.95 2.65 -9.1 -0.34 0
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406258 135077008 1 BrS2C18H27 AB2C18D27 -10.58 2.25 -8.64 -0.88 0
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406259 135077009 1 NO5H11C12 AB5C11D12 -80.75 8.19 -10.3 -1.82 0
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406260 135077049 1 FeO4C14H20 AB4C14D20 175.57 8.42 -5.5 -2.65 0
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406261 135077061 1 Cl2S3H22C34 A2B3C22D34 157.39 1.16 -8.47 -1.02 0
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406262 135077067 1 OWC7H8 ABC7D8 161.36 4.69 -6.18 0.7 0
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406263 135077071 1 LiC6H9 AB6C9 22.82 5.87 -7.51 3.41 1
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406264 135077073 1 NOC19H24 ABC19D24 4.59 2.16 0.0 0.0 0
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406265 135077080 1 CrSO2C12H22 ABC2D12E22 10.11 1.48 -6.24 0.69 0
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406266 135077083 1 NO3C9H13 AB3C9D13 -132.77 5.28 -9.92 0.23 0
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406267 135077093 1 SN2O4C17H18 AB2C4D17E18 -84.74 5.43 -8.73 -0.45 0
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406268 135077096 1 IN2O9C16H19 AB2C9D16E19 -373.2 5.44 -9.64 -1.5 0
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406269 135077107 1 IN2O6C19H27 AB2C6D19E27 -253.28 3.82 -8.96 -0.82 0
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406270 135077108 1 BrOSH13C14 ABCD13E14 15.09 4.13 -8.61 -0.62 0
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406271 135077109 1 OSC16H18 ABC16D18 -7.27 4.93 -8.34 -0.07 0
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406272 135077110 1 ClOSH13C14 ABCD13E14 2.92 4.14 -8.59 -0.58 0
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406273 135077111 1 BrO6H21C24 AB6C21D24 -181.29 2.7 -9.33 -0.7 0
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406274 135077112 1 SN2O4C22H24 AB2C4D22E24 -89.46 7.45 -8.64 -0.19 0
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406275 135077113 1 OH24C25 AB24C25 47.47 1.36 -9.35 0.12 0
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406276 135077114 1 SF3O5C22H31 AB3C5D22E31 -394.07 3.83 -9.52 -1.54 0
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406277 135077115 1 O2C9H14 A2B9C14 -71.31 7.33 -9.61 0.19 0
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406278 135077116 1 O7C16H26 A7B16C26 -333.74 1.8 -10.56 -0.53 0
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406279 135077117 2 NC6H7 AB6C7 51.09 4.81 -8.89 -0.12 0
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406280 135077118 1 N2C15H18 A2B15C18 43.67 4.75 -8.92 -0.17 0
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406281 135077119 1 FO3H9C13 AB3C9D13 -117.11 6.3 -9.94 -1.07 0
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406282 135077120 1 ClFNOH13C14 ABCDE13F14 -54.86 4.63 -8.39 -0.37 0
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406283 135077121 1 SSiF3O4H23C25 ABC3D4E23F25 -264.6 4.28 -8.57 -1.34 0
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406284 135077122 1 NOF5C13H14 ABC5D13E14 -265.7 5.39 -9.6 -1.1 0
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406285 135077123 1 NOF5C12H12 ABC5D12E12 -259.99 5.04 -9.67 -1.14 0
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406286 135077124 1 NO2C9H11 AB2C9D11 -33.67 2.47 -10.6 -1.02 0
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406287 135077125 1 N3O3F4H13C21 A3B3C4D13E21 -188.34 9.0 -9.95 -1.69 0
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406288 135077126 1 BrO3C11H15 AB3C11D15 -111.2 1.4 -8.92 0.03 0
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406289 135077127 1 NOC23H29 ABC23D29 16.87 5.22 -9.57 -0.13 0
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406290 135077128 1 BrO3C18H33 AB3C18D33 -197.16 3.73 -10.44 0.0 0
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406291 135077130 1 F2N2O2C13H20 A2B2C2D13E20 -191.95 4.71 -10.34 -0.67 0
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406292 135077131 1 BrFO2C10H10 ABC2D10E10 -77.45 1.49 -8.39 -0.66 0
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406293 135077132 1 FeO4C14H16 AB4C14D16 42.65 5.37 -8.61 0.96 0
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406294 135077133 1 OC14H22 AB14C22 -50.65 2.48 -9.0 1.02 0
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406295 135077134 1 OBr2C13H16 AB2C13D16 -26.75 2.3 -9.7 -0.65 0
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406296 135077135 1 CrNO6C21H21 ABC6D21E21 -167.19 5.05 -8.17 -0.26 0
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406297 135077136 1 CrNOC16H21 ABCD16E21 -3.66 2.71 -7.78 0.19 0
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406298 135077137 1 WO7H10C16 AB7C10D16 88.01 7.84 -6.38 0.5 0
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406299 135077138 1 WO2H10C11 AB2C10D11 203.29 1.48 -6.48 0.14 0
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406300 135077139 1 CrNO6H13C20 ABC6D13E20 93.49 1.85 -7.5 -0.44 0
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406301 135077140 1 CrNOH13C15 ABCD13E15 218.97 4.83 -7.16 -0.17 0
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406302 135077141 1 CrO6C10H10 AB6C10D10 -93.84 2.96 -7.08 0.76 -3
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406304 135077154 1 BrNSO2H18C19 ABCD2E18F19 -31.44 4.66 -8.78 -0.77 0
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406305 135077156 1 SO3C23H30 AB3C23D30 -103.48 5.6 -9.91 -0.49 0
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406306 135077160 1 IMgNO2C13H14 ABCD2E13F14 848.41 5.33 -5.24 -1.95 0
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406307 135077165 1 OF3N3H12C15 AB3C3D12E15 -91.45 0.48 -9.21 -0.96 0
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406308 135077181 1 NOC19H21 ABC19D21 22.24 2.21 -9.11 -0.12 0
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406309 135077184 1 NO3C20H23 AB3C20D23 -99.21 5.17 -8.92 -0.73 0
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406310 135077200 1 O5C22H30 A5B22C30 -188.35 6.05 -8.99 0.06 0
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406311 135077201 2 O2C9H13 A2B9C13 -178.77 3.19 -10.21 0.02 0
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406312 135077202 1 O2N4H20C25 A2B4C20D25 71.06 3.71 -9.06 -1.21 0
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406313 135077206 4 OC5H7 AB5C7 -192.31 3.31 -9.57 -0.38 0
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406314 135077220 1 O6C13H18 A6B13C18 -249.01 2.16 -10.32 -0.9 0
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406315 135077232 2 O2C13H15 A2B13C15 -118.12 0.26 -9.92 -0.54 0
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406316 135077233 1 NSO3C21H23 ABC3D21E23 -14.67 7.92 -8.42 -0.48 0
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406317 135077240 1 NSO2H23C25 ABC2D23E25 58.76 5.52 -9.26 -0.36 0
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406318 135077241 1 O3C17H30 A3B17C30 -163.38 4.27 -10.3 0.86 0
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406319 135077242 1 SiO3C22H28 AB3C22D28 -133.38 0.74 -8.45 -0.22 0
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406320 135077243 1 NO4C22H29 AB4C22D29 -143.54 2.05 -8.64 0.18 0
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406321 135077244 1 NOH23C25 ABC23D25 66.53 5.53 -8.54 -0.26 0
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406322 135077245 1 SiO3C20H26 AB3C20D26 -136.19 2.41 -8.5 -0.14 0
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406323 135077247 1 O2C17H22 A2B17C22 -39.71 4.35 -9.4 -0.23 0
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406324 135077248 1 O3C17H20 A3B17C20 -75.55 3.99 -9.65 0.06 0
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406325 135077249 2 OH9C12 AB9C12 12.47 1.4 -8.79 -0.75 0
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406326 135077250 1 OC22H38 AB22C38 -65.67 2.85 -9.55 -0.04 0
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406327 135077251 2 OH9C12 AB9C12 13.69 2.2 -8.69 -0.69 0
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406328 135077252 1 N2O3H14C18 A2B3C14D18 -52.0 2.75 -9.02 -1.69 0
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406329 135077253 1 OSiC15H30 ABC15D30 -98.46 2.04 -9.9 0.84 0
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406330 135077254 1 OC12H16 AB12C16 -35.71 1.92 -9.41 0.35 0