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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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401262 135050726 1 OC9H18 AB9C18 -66.37 2.6 -9.55 2.25 0
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401263 135050733 1 ON2C17H26 AB2C17D26 -37.2 2.13 -9.48 0.06 0
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401264 135050735 1 OSeC18H22 ABC18D22 -28.1 5.99 -8.5 -0.54 0
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401265 135050737 1 PO8C27H49 AB8C27D49 -463.22 1.1 -9.02 0.4 0
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401266 135050739 1 AlLiO2C22H40 ABC2D22E40 -127.93 9.44 -8.96 1.12 0
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401267 135050744 1 N2O3H12C16 A2B3C12D16 28.12 5.57 -9.75 -0.95 0
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401268 135050747 1 KOS2N3C4H4 ABC2D3E4F4 -61.92 8.24 -7.76 -0.34 0
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401269 135050748 1 NSO3H15C18 ABC3D15E18 -31.48 1.03 -8.86 -0.69 0
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401270 135050749 1 N6O9H18C20 A6B9C18D20 -257.17 8.05 -9.31 -1.21 1
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401271 135050752 1 N3O4H14C17 A3B4C14D17 -29.8 3.34 0.0 0.0 0
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401272 135050755 1 ClNO3C14H14 ABC3D14E14 -50.51 6.37 -8.95 -1.16 0
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401273 135050759 1 SN3O4H11C12 AB3C4D11E12 -10.55 5.42 -9.51 -2.02 1
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401274 135050766 1 N2O4H9C10 A2B4C9D10 -24.5 7.06 0.0 0.0 0
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401275 135050769 1 ClNO2C15H22 ABC2D15E22 -92.83 2.81 -9.88 -0.37 0
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401276 135050770 1 NS2O3H13C16 AB2C3D13E16 -31.85 6.49 -9.11 -0.93 0
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401277 135050771 1 BNO2H13C16 ABC2D13E16 51.02 3.29 0.0 0.0 0
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401278 135050774 1 NO4C15H17 AB4C15D17 -128.12 5.93 -9.17 -0.83 0
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401279 135050775 1 NSO9C17H17 ABC9D17E17 -235.51 10.14 -9.2 -1.78 0
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401280 135050776 1 SN2O2F3H9C12 AB2C2D3E9F12 -161.03 2.49 -9.32 -1.37 0
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401281 135050808 1 NO6C12H21 AB6C12D21 -289.62 1.34 -9.99 0.63 0
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401282 135050814 1 ClNO2H16C21 ABC2D16E21 70.68 4.29 -8.68 -1.14 1
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401283 135050815 1 NO2H16C21 AB2C16D21 64.06 2.72 0.0 0.0 0
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401284 135050816 1 PN2O2H27C35 AB2C2D27E35 98.09 9.69 -7.66 -0.52 0
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401285 135050817 1 ClNO6H16C20 ABC6D16E20 42.8 8.12 -8.97 -4.09 0
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401286 135050819 1 NO2H15C16 AB2C15D16 -30.81 1.84 -9.81 -0.84 0
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401287 135050821 1 NTeO2C16H23 ABC2D16E23 -20.11 6.36 -8.72 -0.79 0
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401288 135050824 1 NS2O3C16H17 AB2C3D16E17 -43.79 6.59 -8.43 -0.53 0
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401289 135050827 1 ClOSN2C15H17 ABCD2E15F17 -9.33 7.17 -8.57 -0.88 0
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401290 135050829 1 OSN3H17C19 ABC3D17E19 64.95 5.47 -8.94 -0.85 0
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401291 135050830 1 OSN2H16C18 ABC2D16E18 65.03 8.1 -8.63 -1.43 1
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401292 135050831 1 OSN2H17C18 ABC2D17E18 30.14 4.49 0.0 0.0 0
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401293 135050832 1 OSN2H12C16 ABC2D12E16 81.04 4.56 -9.02 -1.11 0
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401294 135050833 1 ON2C14H14 AB2C14D14 14.37 4.47 -8.54 -0.29 0
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401295 135050834 1 ClION2C14H14 ABCD2E14F14 8.02 6.4 -8.04 -0.85 0
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401296 135050836 1 O2N3H15C16 A2B3C15D16 82.79 10.13 -8.32 -1.1 0
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401297 135050837 1 NO3H15C16 AB3C15D16 -39.89 4.58 -8.57 -1.15 0
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401298 135050841 1 N4O7H10C12 A4B7C10D12 -54.88 5.98 -10.41 -1.88 0
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401299 135050857 1 ClNS2H6C9 ABC2D6E9 77.81 2.33 -9.44 -1.79 0
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401300 135050860 1 Cl2O2N3H9C10 A2B2C3D9E10 14.29 7.1 -9.81 -1.56 0
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401301 135050872 1 NOS3H7C10 ABC3D7E10 35.56 2.44 -8.52 -1.99 0
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401302 135050874 1 NOCl2H13C16 ABC2D13E16 -2.06 3.26 -8.88 -1.07 0
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401303 135050876 1 NOSnCl5H16C21 ABCD5E16F21 -57.36 11.2 -10.08 -1.84 1
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401304 135050877 1 NOH16C21 ABC16D21 85.26 3.04 0.0 0.0 0
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401305 135050878 1 O3N4F5H15C16 A3B4C5D15E16 -289.99 6.88 -10.93 -2.08 0
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401306 135050879 1 NS3H9C10 AB3C9D10 70.86 0.92 -8.22 -0.6 0
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401307 135050880 1 NS2O3C6H9 AB2C3D6E9 -109.86 4.52 -8.98 -0.79 0
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401308 135050881 1 N3O5H15C18 A3B5C15D18 -84.58 5.0 -9.22 -1.18 1
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401309 135050882 1 N3O5H16C18 A3B5C16D18 -75.28 5.06 0.0 0.0 0
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401310 135050883 1 NaO2S2N3H8C11 AB2C2D3E8F11 -41.9 19.44 -7.98 -1.52 0
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401311 135050885 1 ClNO2C9H10 ABC2D9E10 -37.01 5.01 -8.81 -0.95 0
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401312 135050886 1 Cr2O9H10C16 A2B9C10D16 -179.65 1.03 -7.31 -0.3 0
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401313 135050887 1 O2S2N3H15C17 A2B2C3D15E17 21.92 8.85 -8.71 -0.86 0
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401314 135050888 2 NSO3C7H8 ABC3D7E8 -195.22 4.11 -8.75 -1.09 0
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401315 135050893 1 BrNO3H16C18 ABC3D16E18 -60.58 2.44 -9.55 -0.79 0
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401316 135050896 1 NSO3C11H15 ABC3D11E15 -87.76 7.45 -9.94 -0.4 0
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401317 135050897 1 N3S3C11H11 A3B3C11D11 112.16 3.63 -8.71 -0.75 1
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401318 135050899 1 ClON2C14H18 ABC2D14E18 -6.64 3.61 0.0 0.0 0
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401319 135050905 1 BrOSN2C19H19 ABCD2E19F19 40.75 5.22 -8.32 -0.42 0
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401320 135050906 1 BrOSN2H19C23 ABCD2E19F23 69.39 4.02 -8.39 -0.94 0
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401321 135050907 2 ClNOSC4H9 ABCDE4F9 -140.47 9.03 -9.37 -1.46 0
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401322 135050917 1 N4O7H12C13 A4B7C12D13 -62.15 4.65 -10.41 -1.81 0
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401323 135050918 1 N2O4H12C15 A2B4C12D15 -26.43 5.68 -9.98 -1.79 0
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401324 135050927 1 NSO6C18H19 ABC6D18E19 -160.51 3.68 -8.6 -0.38 0
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401325 135050934 1 ClNO2H14C15 ABC2D14E15 -36.62 3.37 -9.76 -0.62 0
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401326 135050935 1 ClNO2H14C15 ABC2D14E15 -34.62 2.88 -9.84 -0.4 0
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401327 135050969 1 PN2O2H25C30 AB2C2D25E30 57.47 7.49 -7.67 -0.46 0
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401328 135050970 1 N2O6C17H22 A2B6C17D22 -242.8 2.9 -9.79 -0.27 0
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401329 135050971 1 N2O6C21H22 A2B6C21D22 -201.16 2.99 -9.85 -0.86 0
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401330 135050972 1 NCl2O2H11C15 AB2C2D11E15 -22.35 9.87 -8.53 -1.49 0
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401331 135050973 3 OC7H8 AB7C8 -94.88 1.71 -9.74 -0.64 0
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401332 135050976 1 F3N3O5H12C17 A3B3C5D12E17 -202.76 4.06 -10.02 -2.04 0
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401333 135050978 1 BrN4O4H11C16 AB4C4D11E16 31.36 4.36 -10.08 -1.7 1
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401334 135050979 1 BrN4O4H12C16 AB4C4D12E16 37.62 5.04 0.0 0.0 1
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401335 135050981 1 N4O5H15C17 A4B5C15D17 -7.58 4.52 0.0 0.0 0
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401336 135050985 1 N2O5H14C16 A2B5C14D16 -73.6 4.03 -10.31 -1.68 0