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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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409190 135081969 1 KC9H9 AB9C9 41.41 10.85 -5.57 0.1 1
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409191 135081970 1 KH13C15 AB13C15 53.67 9.02 -5.65 0.03 0
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409192 135081971 1 H13C15 A13B15 78.57 0.08 0.0 0.0 1
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409193 135081972 1 KC4H7 AB4C7 15.24 9.09 -5.53 0.34 1
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409194 135081973 1 KC12H23 AB12C23 50.59 38.32 -3.24 -2.12 1
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409195 135081974 1 KC7H13 AB7C13 2.77 9.51 -5.47 0.25 0
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409196 135081975 1 C7H13 A7B13 4.32 0.56 0.0 0.0 1
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409197 135081976 1 KC10H17 AB10C17 16.17 10.22 -5.45 0.22 0
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409198 135081977 1 C10H17 A10B17 17.95 0.44 0.0 0.0 1
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409199 135081978 1 KOC9H9 ABC9D9 -21.23 8.45 -6.01 -0.12 0
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409200 135081979 1 TeC2H2P2 AB2C2D2 41.0 0.48 -8.73 -1.22 1
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409201 135081980 1 NOSC2H2 ABCD2E2 38.88 3.34 0.0 0.0 1
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409202 135081981 1 NOSC2H2 ABCD2E2 28.04 1.19 0.0 0.0 0
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409203 135081982 2 NH4C6 AB4C6 136.67 2.5 -8.43 -0.82 0
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409204 135081983 1 OC16H16 AB16C16 148.05 1.32 -8.26 0.06 0
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409206 135081985 1 O13C34H36 A13B34C36 -500.68 3.35 -8.88 -1.8 0
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409210 135081989 1 ClCuN2O6C21H22 ABC2D6E21F22 70.48 3.94 -8.12 -4.32 0
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409211 135081990 1 NO3C17H29 AB3C17D29 -172.79 4.23 -9.66 0.7 0
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409212 135081991 1 PC19H25 AB19C25 23.08 8.0 -6.76 0.61 0
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409213 135081992 1 FeNO3H5C6 ABC3D5E6 3.01 3.86 -8.42 -0.46 0
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409214 135081993 1 FePN2O2C21H22 ABC2D2E21F22 233.74 4.15 0.0 0.0 0
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409216 135081996 1 ZrC14H18 AB14C18 78.92 4.13 -7.72 -1.04 -1
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409217 135081997 1 ZrC19H26 AB19C26 40.5 6.7 -6.33 -1.2 -1
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409219 135081999 1 ZrC25H30 AB25C30 29.29 6.06 -6.74 -0.09 0
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409220 135082000 1 GeNOC20H35 ABCD20E35 -88.92 4.95 -7.4 0.69 0
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409221 135082001 1 GeNOC19H33 ABCD19E33 -75.62 4.89 -7.19 0.66 0
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409222 135082002 1 GeNOC18H31 ABCD18E31 -72.16 5.21 -7.44 0.66 0
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409223 135082003 1 GeNC25H33 ABC25D33 49.4 5.6 -7.22 -0.04 0
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409224 135082004 1 GeNC19H29 ABC19D29 59.81 0.49 -7.86 -1.18 0
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409225 135082005 1 GeNC21H37 ABC21D37 -2.18 2.0 -7.39 -1.0 0
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409226 135082006 1 GeNC21H37 ABC21D37 -6.23 5.28 -6.99 0.21 0
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409227 135082007 1 LiNOC10H22 ABCD10E22 40.0 16.72 -4.01 -0.33 0
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409228 135082008 1 NOC10H23 ABC10D23 -70.76 0.88 -8.76 2.04 0
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409229 135082009 1 LiNC8H14 ABC8D14 96.99 14.07 -3.98 -0.18 0
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409230 135082010 1 LiNC8H16 ABC8D16 37.75 8.95 -5.21 1.88 0
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409231 135082011 1 LiOC8H11 ABC8D11 -52.43 5.9 -7.5 1.72 0
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409232 135082012 1 LiOC13H21 ABC13D21 25.53 37.96 -4.58 -2.64 0
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409233 135082013 1 OC13H22 AB13C22 -55.49 2.31 -8.9 1.34 0
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409234 135082014 1 LiOC12H19 ABC12D19 -89.92 5.75 -7.39 2.58 0
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409235 135082015 1 OC12H20 AB12C20 -70.88 1.34 -8.54 1.46 0
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409236 135082016 1 LiOC9H13 ABC9D13 -67.41 5.54 -7.63 2.51 0
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409237 135082017 1 OC9H14 AB9C14 -46.95 0.61 -8.88 1.3 0
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409238 135082018 1 LiOC7H9 ABC7D9 -44.87 5.85 -7.7 2.41 0
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409239 135082019 1 LiOC9H13 ABC9D13 -54.61 5.77 -7.63 2.47 0
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409240 135082020 1 OC9H14 AB9C14 -34.31 0.69 -8.87 1.29 0
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409241 135082021 1 LiOC8H9 ABC8D9 3.33 7.95 -6.95 1.09 0
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409242 135082022 1 OC8H10 AB8C10 7.22 2.36 -8.93 0.82 0
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409243 135082023 1 LiOC8H13 ABC8D13 -80.74 5.58 -7.4 2.58 0
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409244 135082024 1 LiOC11H19 ABC11D19 -93.83 5.52 -7.3 2.67 0
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409245 135082025 1 OC11H20 AB11C20 -78.36 1.47 -8.48 1.54 0
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409246 135082026 1 OC12H18 AB12C18 -57.37 4.52 -9.68 -0.03 0
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409247 135082027 1 LiOC10H17 ABC10D17 -89.02 5.34 -7.62 2.64 0
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409248 135082028 1 OC10H18 AB10C18 -70.85 0.92 -8.87 1.43 0
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409249 135082029 1 LiOC11H19 ABC11D19 -94.32 5.63 -7.31 2.66 0
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409250 135082030 1 OC11H20 AB11C20 -78.72 1.32 -8.49 1.54 0
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409251 135082031 1 ClGeNOC7H14 ABCDE7F14 -94.76 6.26 -9.09 -0.07 0
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409252 135082032 1 GeNOC21H37 ABCD21E37 -71.1 1.81 -7.77 -0.39 0
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409253 135082033 1 GeNC18H31 ABC18D31 14.73 3.1 -7.1 -0.23 0
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409254 135082034 1 BrMgSN2O2C4H5 ABCD2E2F4G5 -124.8 5.08 -9.61 -1.54 0
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409255 135082035 1 SN2O2C4H6 AB2C2D4E6 -74.07 6.58 -9.53 -0.72 0
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409256 135082036 1 SBr2Mg2N2H4O4C5 AB2C2D2E4F4G5 -231.45 13.82 -8.56 -2.9 0
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409258 135082038 1 NSi2O6C24H43 AB2C6D24E43 -358.0 5.41 -8.58 -1.24 0
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409259 135082039 1 NOLi2H15C16 ABC2D15E16 -18.66 8.56 -7.49 0.67 0
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409260 135082040 2 N2O5C25H40 A2B5C25D40 -438.31 3.79 -8.88 -0.7 0
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409261 135082041 1 ClNO6C11H12 ABC6D11E12 -2.0 14.39 -9.78 -2.96 0
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409262 135082042 1 N2O5C10H14 A2B5C10D14 -182.48 2.01 -10.4 -0.91 0
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409264 135082044 2 O3C4H8 A3B4C8 -275.31 1.22 -10.06 0.9 0
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409265 135082045 2 AlO2C6H15 AB2C6D15 -285.38 3.48 -9.53 1.95 0
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409266 135082046 1 AlO2C6H15 AB2C6D15 -138.9 0.82 -9.67 2.01 0
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409267 135082047 2 GaO2C6H15 AB2C6D15 -216.96 2.74 -9.5 0.68 0
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409268 135082048 1 GaO2C6H15 AB2C6D15 -106.91 1.74 -9.79 0.85 0
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409269 135082049 2 AlO2C9H13 AB2C9D13 -221.09 4.13 -8.36 0.13 0
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409270 135082050 2 AlO2C11H17 AB2C11D17 -264.82 5.82 -8.34 -0.08 0
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409271 135082051 1 AlO2C11H17 AB2C11D17 -130.22 3.39 -8.54 -0.05 0
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409272 135082052 1 S2O6C37H42 A2B6C37D42 -157.66 3.44 -8.29 0.13 0
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409273 135082053 1 LiOS2C15H15 ABC2D15E15 96.16 32.2 -5.47 -2.58 0
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409274 135082054 1 ILiO2H4C7 ABC2D4E7 -17.9 6.18 -8.15 -0.19 0
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409275 135082055 1 ON3H15C22 AB3C15D22 97.6 3.71 -9.22 -0.86 0
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409276 135082056 1 BrNLi2C16H18 ABC2D16E18 -45.47 4.99 -8.6 0.04 0
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409278 135082058 1 O2Cl4H6C11 A2B4C6D11 -46.73 2.09 -9.81 -1.3 0
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409279 135082059 1 H2N2C7F12 A2B2C7D12 -574.49 1.84 -10.49 -1.36 0
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409280 135082060 1 TiN3C11H27 AB3C11D27 65.2 6.8 -7.59 -1.03 0
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409283 135082063 1 AuPF6H14C24 ABC6D14E24 -24.42 2.97 -8.73 -1.65 0
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409284 135082064 1 AuPF6H14C24 ABC6D14E24 -120.55 6.97 -7.58 -1.82 0
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409285 135082065 1 AuPF13H13C27 ABC13D13E27 -376.4 2.78 -8.93 -1.84 0
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409286 135082066 1 PH9F12C21 AB9C12D21 -503.85 1.53 -9.47 -1.0 0
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409287 135082067 1 AuPF13H13C27 ABC13D13E27 -435.13 1.73 -9.45 -1.15 0
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409289 135082069 1 AuNC11H14 ABC11D14 145.73 4.35 -7.99 -1.14 0
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409290 135082070 1 AuNC13H18 ABC13D18 137.91 2.39 -9.31 -1.2 0
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409291 135082071 1 AuPO2C11H22 ABC2D11E22 -111.3 5.2 -9.09 0.04 0
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409292 135082072 1 AuBP2F4C8H22 ABC2D4E8F22 -340.94 13.98 -7.72 -2.17 0
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409295 135082075 1 O4N5C11H15 A4B5C11D15 -13.63 6.75 -10.25 -1.44 0
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409296 135082076 1 O4N5C13H19 A4B5C13D19 -21.67 7.6 -10.16 -1.51 0
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409297 135082077 1 O4N5C12H15 A4B5C12D15 -10.62 7.81 -10.13 -1.34 0
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409298 135082078 1 O4N5C14H21 A4B5C14D21 -29.17 7.53 -10.17 -1.44 0
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409299 135082079 1 O4N5C13H17 A4B5C13D17 -16.28 8.21 -10.15 -1.41 0
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409300 135082080 1 O4N5C14H21 A4B5C14D21 -26.76 7.15 -10.22 -1.42 0
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409301 135082081 1 O4N5C13H17 A4B5C13D17 -14.69 7.94 -10.13 -1.34 0
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409302 135082082 1 CrN2C16H22 AB2C16D22 110.09 4.11 -7.15 0.53 0
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409303 135082083 1 O3C11H20 A3B11C20 -138.97 2.63 -9.81 1.82 0