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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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227982 87563170 1 SN3O10C13H23 AB3C10D13E23 -435.82 4.8 -9.9 -0.77 0
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227983 87563171 1 NO4C11H11 AB4C11D11 -126.47 5.87 -9.86 -0.95 0
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227984 87563172 1 SCl2N2O8C14H18 AB2C2D8E14F18 -317.12 7.59 -10.32 -0.71 1
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227985 87563173 1 NPO6C11H23 ABC6D11E23 -300.01 12.67 0.0 0.0 0
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227986 87563174 1 O2N5H15C19 A2B5C15D19 106.07 3.5 -9.31 -1.23 0
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227987 87563176 1 ClO2N4C11H15 AB2C4D11E15 -47.68 4.74 -9.28 -0.53 0
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227988 87563182 2 ClO2N4C35H41 AB2C4D35E41 -55.38 8.44 -8.84 -1.05 0
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227989 87563187 1 N2O4F6H16C21 A2B4C6D16E21 -330.93 7.96 -9.9 -1.46 0
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227990 87563188 1 NCl2S2O3H7C12 AB2C2D3E7F12 12.98 5.2 -9.32 -1.75 0
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227991 87563190 1 ON4C16H22 AB4C16D22 24.13 2.44 -7.99 0.24 0
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227992 87563192 1 SiO2C17H33 AB2C17D33 -162.04 1.25 0.0 0.0 0
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227993 87563197 1 NO3H13C18 AB3C13D18 -10.15 4.45 -8.64 -1.34 0
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227994 87563198 1 BrO4C15H19 AB4C15D19 -176.57 4.06 -9.96 -1.05 0
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227995 87563199 1 BrSO3H5C8 ABC3D5E8 -70.65 5.74 -9.48 -2.3 0
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227996 87563200 1 BrSO3H7C8 ABC3D7E8 -103.04 5.96 -9.66 -1.32 0
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227997 87563201 2 SN3O4H8C13 AB3C4D8E13 143.18 4.3 -8.68 -2.38 0
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227998 87563202 1 SN2O2C15H24 AB2C2D15E24 -64.78 6.46 -8.62 -0.02 0
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227999 87563203 1 SN3O3C19H21 AB3C3D19E21 -44.6 5.57 -8.57 -1.22 0
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228000 87563204 1 SN3O3C19H21 AB3C3D19E21 -42.59 5.38 -8.54 -1.19 0
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228001 87563205 1 O2N3C12H13 A2B3C12D13 17.49 3.1 -9.26 -0.79 0
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228002 87563207 1 N2Cl3F3O3C29H30 A2B3C3D3E29F30 -256.23 7.23 -8.82 -0.65 0
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228003 87563213 1 BrO2N4H5C7 AB2C4D5E7 -29.11 4.0 -9.78 -1.35 0
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228004 87563214 1 ClON2C20H23 ABC2D20E23 22.81 3.03 -9.16 -0.15 0
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228005 87563215 1 ClON2C20H23 ABC2D20E23 29.23 1.33 -8.94 -0.18 0
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228006 87563216 1 BrO2N3H10C14 AB2C3D10E14 41.02 4.59 -9.18 -1.14 0
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228007 87563217 2 NOC17H20 ABC17D20 -28.03 5.16 -8.87 -0.12 0
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228008 87563218 1 N5O9C26H29 A5B9C26D29 -178.82 8.21 -9.54 -2.31 0
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228009 87563219 1 NS2C11H11 AB2C11D11 71.38 4.03 -9.19 -1.48 0
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228010 87563220 1 NS2C11H11 AB2C11D11 72.13 2.87 -9.07 -1.53 0
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228011 87563221 1 NO2S2H17C18 AB2C2D17E18 13.02 4.94 -9.32 -1.35 0
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228012 87563226 1 SO2F3N3C15H16 AB2C3D3E15F16 -180.59 6.85 -8.9 -1.34 0
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228013 87563227 1 SO2F3N3C15H16 AB2C3D3E15F16 -179.9 9.74 -8.95 -1.41 0
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228014 87563229 1 P2O3H32C38 A2B3C32D38 1.42 4.64 -8.59 -0.22 0
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228015 87563230 1 O3N4H16C19 A3B4C16D19 -7.66 8.67 -8.79 -1.24 0
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228016 87563232 1 ClNSO5C12H12 ABCD5E12F12 -166.32 8.51 -10.15 -1.29 0
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228017 87563233 1 N2O3C17H24 A2B3C17D24 -113.07 4.37 -8.72 -0.05 0
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228018 87563234 1 ClO2H5N6C7 AB2C5D6E7 44.08 3.21 -10.46 -2.01 0
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228019 87563235 1 NSF3O5C16H18 ABC3D5E16F18 -301.15 7.15 -9.37 -0.72 0
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228020 87563236 1 FePO2S2C4H10 ABC2D2E4F10 -114.55 2.47 0.0 0.0 0
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228021 87563238 1 NO2C15H17 AB2C15D17 -6.84 3.62 -9.26 -0.49 0
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228022 87563239 1 FO2N7C21H24 AB2C7D21E24 -43.82 7.4 -8.92 -0.43 0
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228024 87563241 1 NOF3C15H18 ABC3D15E18 -196.1 5.76 -8.9 -0.34 -6
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228025 87563243 1 BrClFeN2H10C18 ABCD2E10F18 195.77 6.68 -8.83 -1.53 0
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228026 87563248 2 O3C8H16 A3B8C16 -328.5 5.15 -10.88 -0.24 0
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228027 87563249 2 O2C5H9 A2B5C9 -196.49 4.83 -10.97 -0.4 0
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228028 87563250 1 Cl2N2S2O3H14C15 A2B2C2D3E14F15 9.45 5.3 -9.42 -1.9 0
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228029 87563251 1 N2O5C31H46 A2B5C31D46 -114.54 2.32 -8.5 -0.43 0
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228030 87563252 1 ClNS2O3F4H4C12 ABC2D3E4F4G12 -174.98 8.32 -8.88 -1.34 0
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228031 87563253 1 ClF2O2N3C14H18 AB2C2D3E14F18 -189.06 6.9 -10.21 -0.95 0
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228032 87563254 1 IOCl2S2H7C12 ABC2D2E7F12 26.25 0.99 -8.9 -1.46 0
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228033 87563255 1 NOC15H21 ABC15D21 -44.49 4.36 -8.14 0.34 0
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228034 87563256 1 O4F6N8H32C35 A4B6C8D32E35 -302.06 13.21 -9.02 -1.58 0
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228035 87563258 1 N3O4H17C20 A3B4C17D20 -66.91 9.31 -8.58 -1.24 0
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228036 87563259 1 SO5C6H8 AB5C6D8 -175.14 6.32 -11.3 -0.7 0
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228037 87563260 1 O3N4H20C27 A3B4C20D27 79.89 2.86 -9.03 -1.23 0
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228038 87563261 1 BrINO2C21H35 ABCD2E21F35 -17.98 83.46 -4.39 -4.39 1
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228039 87563262 1 INO2C21H35 ABC2D21E35 -103.06 7.29 0.0 0.0 0
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228040 87563263 1 N2O4F6H18C21 A2B4C6D18E21 -362.84 6.55 -9.96 -1.52 0
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228041 87563264 1 N2O4F6H18C21 A2B4C6D18E21 -363.13 7.83 -9.92 -1.47 0
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228042 87563266 1 BrPO2C4H8 ABC2D4E8 -86.91 2.03 -10.02 -0.97 0
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228043 87563274 2 NOC6H13 ABC6D13 -112.1 6.91 -9.55 0.92 0
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228044 87563276 1 O2N5C24H25 A2B5C24D25 94.29 6.32 -8.92 -1.06 0
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228045 87563279 1 NO3C15H17 AB3C15D17 -39.91 3.83 -8.68 -0.85 0
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228046 87563280 1 ClN2O4C12H15 AB2C4D12E15 -142.53 0.88 -9.1 -1.09 0
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228047 87563281 1 CPO2N3H6 ABC2D3E6 -56.45 3.93 -9.4 0.43 0
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228048 87563282 4 OC7H13 AB7C13 -265.73 1.35 -10.8 -0.78 0
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228049 87563283 1 BrFN3O4H13C14 ABC3D4E13F14 -67.71 6.03 -9.85 -2.08 0
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228050 87563284 4 OC7H13 AB7C13 -267.96 2.53 -10.84 -1.02 0
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228051 87563286 1 O2C7H10 A2B7C10 -32.15 3.19 -9.13 0.99 0
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228052 87563287 1 NO3C9H11 AB3C9D11 -35.94 4.1 -8.17 -0.42 0
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228053 87563288 1 ClN2O2C11H13 AB2C2D11E13 -62.81 2.67 -8.76 -0.86 0
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228054 87563289 2 OC12H12 AB12C12 -8.75 0.26 -8.73 0.14 0
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228055 87563290 1 N3O5H19C20 A3B5C19D20 -85.72 6.17 -8.91 -1.08 0
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228056 87563291 1 N3O5H19C20 A3B5C19D20 -87.08 6.43 -8.57 -1.26 0
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228057 87563292 1 FePO2S2C4H10 ABC2D2E4F10 -204.95 5.63 0.0 0.0 0