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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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186251 77411542 1 BrN2O4C16H21 AB2C4D16E21 -135.16 9.01 -8.46 -0.71 0
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186252 77412204 1 FO3N8H23C24 AB3C8D23E24 -1.43 2.07 -8.9 -0.9 0
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186253 77412347 1 ClFN2O6C16H18 ABC2D6E16F18 -295.33 4.15 -9.87 -0.51 0
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186254 77412802 1 NPO5C10H12 ABC5D10E12 -245.21 7.63 -9.73 -0.52 0
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186255 77413082 1 O6C25H26 A6B25C26 -209.0 6.25 -9.48 -0.98 0
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186256 77413387 1 S2O5N7C18H21 A2B5C7D18E21 -74.98 4.36 -9.56 -1.14 0
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186257 77413388 2 O2C10H17 A2B10C17 -210.85 4.82 -9.88 0.03 0
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186258 77413389 1 Cl3O7C28H39 A3B7C28D39 -328.55 5.64 -9.75 -1.17 0
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186259 77413390 1 S2O4N5C14H19 A2B4C5D14E19 -63.68 5.62 -9.01 -1.81 0
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186260 77413391 1 N3O3C22H27 A3B3C22D27 -82.76 10.32 -8.38 -0.31 0
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186261 77413392 1 ClN3O4C21H40 AB3C4D21E40 -248.77 9.14 -10.04 -0.32 0
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186262 77413393 1 OSN3C11H13 ABC3D11E13 20.02 3.19 -8.36 -0.49 0
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186263 77413394 1 O3N5C24H25 A3B5C24D25 -31.63 3.89 -8.72 -0.25 0
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186264 77413395 1 SN2Na2O3C14H14 AB2C2D3E14F14 -1.01 25.74 -4.03 -1.49 0
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186265 77413396 2 NaSN2O3H13C14 ABC2D3E13F14 -313.67 24.79 -7.8 -1.19 0
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186266 77413397 2 O3C11H15 A3B11C15 -251.81 8.46 -8.82 0.32 0
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186267 77413398 2 O3C11H15 A3B11C15 -251.7 3.73 -8.97 0.16 0
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186268 77413399 1 S2O6N7H23C28 A2B6C7D23E28 -68.5 3.95 -9.17 -1.57 0
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186269 77413400 1 OCl2N3C16H19 AB2C3D16E19 -13.58 6.16 -8.22 -1.41 0
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186270 77413401 1 ClON3C16H18 ABC3D16E18 22.74 5.19 -8.38 -1.42 0
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186271 77413402 1 OCl2N2C14H16 AB2C2D14E16 -26.27 9.05 -8.51 -1.36 0
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186272 77413403 1 ClON2C14H15 ABC2D14E15 6.68 6.46 -8.58 -1.42 0
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186273 77413404 1 NaOCl2N2H8C11 ABC2D2E8F11 -42.61 7.31 0.0 0.0 0
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186274 77413405 1 OCl2N2H8C11 AB2C2D8E11 26.46 5.24 -9.59 -1.51 0
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186275 77413406 1 S2N3O5C15H19 A2B3C5D15E19 -135.95 6.23 -9.46 -1.09 0
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186276 77413407 1 N3S3O4C14H17 A3B3C4D14E17 -87.19 4.61 -9.29 -1.16 0
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186277 77413408 1 S2N4O4C15H20 A2B4C4D15E20 -88.05 5.88 -9.59 -1.19 0
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186278 77413409 1 O3C18H28 A3B18C28 -149.69 5.74 -9.8 0.59 0
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186279 77413410 1 CaClON2C13H13 ABCD2E13F13 1.49 11.89 -5.88 -2.08 0
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186280 77413462 1 IO3C20H33 AB3C20D33 -163.37 6.95 -9.87 -0.88 0
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186281 77413514 1 BrNaSN2O4C10H12 ABCD2E4F10G12 -211.16 5.15 -8.96 -1.02 0
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186282 77413515 1 O5C21H34 A5B21C34 -257.62 2.59 -10.12 -0.29 0
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186283 77413516 1 NO3C24H31 AB3C24D31 -110.36 6.93 -8.88 -0.28 0
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186284 77413772 1 O5C24H44 A5B24C44 -291.4 6.22 -9.44 0.71 0
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186286 77413774 1 OC21H36 AB21C36 -120.05 2.46 -10.08 3.03 0
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186287 77413984 1 SiO7C33H60 AB7C33D60 -440.29 0.88 -8.73 0.82 0
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186288 77413985 1 ClON2C24H27 ABC2D24E27 167.92 3.05 -7.5 -0.13 -2
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186289 77414099 1 S2N3O9C15H17 A2B3C9D15E17 -231.08 10.63 -9.52 -1.5 0
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186290 77414352 1 N2S2Cl3O8C37H45 A2B2C3D8E37F45 -255.1 7.53 -8.26 -1.5 0
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186291 77414353 1 SN2Cl3O5H17C19 AB2C3D5E17F19 -146.23 5.64 -9.36 -1.32 0
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186292 77414501 1 O15C25H32 A15B25C32 -595.1 2.87 -8.67 -0.66 0
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186293 77414671 1 ClO6C23H31 AB6C23D31 -281.51 10.12 -9.24 -0.11 0
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186294 77415943 1 ClN5O5C31H36 AB5C5D31E36 -113.91 4.24 -8.28 -0.18 0
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186295 77416119 1 ClN2C10H17 AB2C10D17 -14.3 2.34 -9.9 0.96 0
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186296 77416120 1 SN2O9C26H32 AB2C9D26E32 -352.05 6.22 -9.6 -1.1 0
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186297 77416194 1 O3C19H24 A3B19C24 -115.18 4.87 -9.28 -0.58 0
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186298 77416314 1 O3C16H28 A3B16C28 -198.9 2.97 -10.11 2.02 0
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186299 77416433 1 O5C23H40 A5B23C40 -252.41 2.44 -9.54 0.25 0
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186300 77416434 1 S2N4O11C40H46 A2B4C11D40E46 -348.39 8.74 -8.42 -0.69 0
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186301 77416435 1 O5C23H38 A5B23C38 -248.99 8.93 -9.75 0.63 0