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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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404341 135065912 1 BBrI3N6H9C24 ABC3D6E9F24 181.99 6.12 -8.04 -2.57 0
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404342 135065913 1 BClO3N6H30C33 ABC3D6E30F33 -34.5 7.12 -7.65 -1.92 0
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404343 135065914 1 NO2C16H17 AB2C16D17 -10.63 4.97 -9.06 -0.03 0
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404344 135065915 1 BrNO2H14C16 ABC2D14E16 -34.19 6.04 -8.84 -0.66 0
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404345 135065917 1 NO2C13H21 AB2C13D21 -79.27 5.3 -9.06 0.22 0
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404346 135065918 1 SN2C27H38 AB2C27D38 64.67 4.09 -8.42 -0.52 0
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404347 135065920 1 ClNOF3C11H11 ABCD3E11F11 -207.7 2.89 -9.69 -0.24 0
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404348 135065921 1 ClNOF3C11H11 ABCD3E11F11 -207.52 5.3 -9.51 -0.27 0
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404349 135065924 2 SC12H19 AB12C19 -15.25 2.56 -8.14 -0.21 0
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404350 135065925 1 O2N3C12H13 A2B3C12D13 14.16 4.44 -9.21 -1.05 0
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404351 135065967 1 N2O2F4H14C19 A2B2C4D14E19 -198.74 1.2 -9.37 -1.17 0
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404352 135066019 1 NPO4C17H20 ABC4D17E20 -177.54 1.42 -9.51 -0.2 0
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404353 135066020 1 PO4C17H27 AB4C17D27 -235.22 5.47 -9.97 -0.18 0
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404354 135066021 1 PCl3O4H12C19 AB3C4D12E19 -131.34 7.74 -9.34 -1.56 0
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404355 135066023 1 SiO2C18H24 AB2C18D24 -110.56 1.83 -8.8 -0.11 0
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404356 135066024 1 OSeC15H18 ABC15D18 -4.54 2.3 -8.54 -0.23 0
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404357 135066025 1 NOS3C25H27 ABC3D25E27 27.19 5.87 -8.4 -0.61 0
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404358 135066026 1 OSH14C16 ABC14D16 23.13 1.82 -9.24 -0.23 0
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404359 135066027 1 NO3C21H31 AB3C21D31 -107.17 6.08 -9.09 0.32 0
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404360 135066028 1 OTeC8H14 ABC8D14 -37.31 1.04 -8.12 0.26 0
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404361 135066029 1 SeH18C20 AB18C20 92.2 3.12 -8.12 -0.24 0
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404362 135066030 1 SeBr2H8C16 AB2C8D16 144.94 1.35 -8.6 -0.87 0
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404363 135066031 1 SiN2O3C22H32 AB2C3D22E32 -152.33 2.57 -8.1 -0.66 0
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404364 135066032 1 OSC18H22 ABC18D22 -5.14 5.0 -8.18 -0.04 2
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404365 135066033 1 PbO4N8C60H72 AB4C8D60E72 347.16 9.24 -6.72 -2.54 0
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404366 135066034 1 O3C13H20 A3B13C20 -132.8 2.98 -8.78 0.48 0
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404367 135066035 2 N2O2C9H10 A2B2C9D10 -78.95 7.51 -8.26 -0.57 1
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404368 135066036 1 NO2C7H16 AB2C7D16 -97.61 3.12 0.0 0.0 0
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404369 135066038 1 O4C15H18 A4B15C18 -119.11 2.62 -9.49 0.22 0
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404370 135066039 4 OC4H5 AB4C5 -128.4 3.14 -9.4 0.3 0
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404371 135066041 1 OSiC20H24 ABC20D24 -10.59 2.36 -9.18 -0.06 0
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404372 135066042 1 NF3O3C19H24 AB3C3D19E24 -305.12 1.5 -10.08 -0.63 0
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404373 135066043 1 OC17H18 AB17C18 -5.63 2.33 -8.96 0.0 0
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404374 135066044 1 ClOH15C16 ABC15D16 -5.22 2.94 -9.28 -0.29 0
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404375 135066046 1 OC17H18 AB17C18 -5.75 2.72 -9.1 -0.02 0
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404376 135066047 1 NO2C13H19 AB2C13D19 -45.1 3.23 -9.2 0.45 0
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404377 135066048 1 FOC13H17 ABC13D17 -81.69 1.81 -9.53 0.14 0
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404378 135066049 1 FC16H23 AB16C23 -53.25 1.76 -9.6 0.21 0
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404379 135066050 1 BrClOC12H16 ABCD12E16 -62.15 1.57 -9.47 -0.66 0
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404380 135066051 1 BrClOC12H16 ABCD12E16 -60.78 1.97 -9.52 -0.53 0
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404381 135066053 1 ClO2C12H17 AB2C12D17 -109.7 3.45 -10.33 0.0 0
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404382 135066054 1 ClO3C15H15 AB3C15D15 -98.56 3.28 -9.87 -0.3 0
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404383 135066056 1 BrPSN2O3H24C25 ABCD2E3F24G25 -77.4 4.94 -8.56 -0.66 0
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404384 135066057 1 BrPN2O3H22C24 ABC2D3E22F24 -63.93 5.36 -9.52 -0.69 0
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404385 135066058 1 BrPN2O3H22C24 ABC2D3E22F24 -63.58 6.74 -9.53 -0.54 0
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404386 135066081 1 BrClPN2O2H23C29 ABCD2E2F23G29 7.39 4.0 -8.87 -0.56 0
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404387 135066102 1 S2N3O6H19C20 A2B3C6D19E20 -169.09 5.1 -8.82 -0.67 0
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404388 135066120 1 OSH24C28 ABC24D28 70.1 5.26 -8.24 -0.14 0
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404389 135066123 1 FNSO4C21H24 ABCD4E21F24 -168.26 5.7 -9.75 -0.96 0
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404390 135066150 1 SO2F3H7C12 AB2C3D7E12 -175.23 2.27 -9.47 -1.45 0
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404391 135066151 1 O3N5H23C24 A3B5C23D24 -22.2 9.06 -8.21 -0.66 0
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404392 135066152 1 O2N4H20C23 A2B4C20D23 61.02 2.58 -8.72 -0.78 0
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404393 135066153 1 O2N3H21C25 A2B3C21D25 51.33 4.05 -8.94 -0.89 0
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404394 135066154 1 NO3H15C17 AB3C15D17 -58.63 2.52 -8.54 -1.31 0
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404395 135066155 1 O3N5C11H15 A3B5C11D15 -30.63 4.51 -9.05 -0.93 0
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404396 135066157 1 O2N3C21H23 A2B3C21D23 -10.79 2.66 -8.55 -1.12 0
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404397 135066160 1 O3N4C14H16 A3B4C14D16 -64.5 8.41 -8.6 -0.46 0
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404398 135066161 1 OSN6C15H18 ABC6D15E18 67.72 4.89 -8.16 -1.26 0
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404399 135066163 1 NPO2H18C22 ABC2D18E22 -21.4 3.53 -9.12 -0.5 0
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404400 135066164 1 PO2H19C23 AB2C19D23 -33.48 3.11 -8.85 -0.41 0
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404401 135066165 1 NPO2H16C17 ABC2D16E17 -56.28 1.6 -9.49 -0.85 0
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404402 135066166 2 PO2C13H13 AB2C13D13 -173.87 2.41 -9.14 -0.72 0
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404403 135066168 1 PO3F4H15C16 AB3C4D15E16 -328.15 4.64 -9.41 -0.84 0
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404404 135066169 1 PO2C30H35 AB2C30D35 -81.46 3.94 -9.42 -0.26 0
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404405 135066170 2 PN2O2C5H8 AB2C2D5E8 -185.89 9.99 -9.22 -0.17 2
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404406 135066171 2 PN2O2C5H9 AB2C2D5E9 -146.93 6.83 -7.45 -0.39 0
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404407 135066172 1 PO2C20H27 AB2C20D27 -115.61 3.01 -9.07 -0.67 0
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404408 135066173 1 PO2C22H31 AB2C22D31 -122.2 3.02 -9.79 -0.14 0
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404409 135066174 1 FNPO4C28H35 ABCD4E28F35 -241.76 7.51 -8.86 -0.77 0
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404410 135066176 1 PSN2O6C26H31 ABC2D6E26F31 -242.71 5.34 -9.41 -0.22 0
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404411 135066177 1 PSiN3O3C18H26 ABC3D3E18F26 -118.11 6.35 -9.86 -0.51 0
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404412 135066178 1 PSiN2F3O3C18H26 ABC2D3E3F18G26 -313.33 5.46 -9.99 -0.28 0
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404413 135066180 1 NPO4C27H34 ABC4D27E34 -189.33 5.29 -9.01 -0.58 0
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404414 135066181 1 NPO2H22C23 ABC2D22E23 -65.0 3.75 -8.83 -0.84 0
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404415 135066182 1 PF2O3C16H17 AB2C3D16E17 -238.41 5.88 -9.22 -0.61 0