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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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48266 10538476 1 ClNOC14H14 ABCD14E14 -21.35 3.12 -8.92 -0.57 0
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48267 10538487 1 PO4C11H21 AB4C11D21 -224.28 4.2 -9.26 0.63 0
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48268 10538495 2 O2C7H8 A2B7C8 -160.47 5.01 -10.25 -0.89 0
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48269 10538496 2 O2C7H8 A2B7C8 -130.09 3.67 -9.1 -0.33 0
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48270 10538499 1 O2H12C17 A2B12C17 1.0 5.92 -9.36 -0.98 0
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48271 10538517 1 SN2O2C12H12 AB2C2D12E12 34.23 5.58 -9.26 -1.6 0
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48272 10538519 1 O3C15H20 A3B15C20 -122.52 2.62 -8.85 0.12 0
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48273 10538521 1 O3C15H20 A3B15C20 -104.04 6.03 -10.24 -0.13 0
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48274 10538527 2 NOC7H10 ABC7D10 4.95 0.63 -9.29 0.3 0
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48275 10538542 2 OC8H12 AB8C12 -115.87 3.79 -9.68 -0.07 0
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48276 10538549 1 BrClNOPC5H12 ABCDEF5G12 -124.81 3.22 -9.95 -0.6 0
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48277 10538553 1 ClSH13C14 ABC13D14 34.98 3.99 -8.96 -0.49 0
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48278 10538566 1 NO4C13H15 AB4C13D15 -100.92 4.12 -9.94 -0.43 0
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48279 10538598 1 SN3C13H19 AB3C13D19 30.07 8.08 -8.32 0.06 0
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48281 10538605 1 ClON3C12H12 ABC3D12E12 22.31 1.38 -9.28 -0.97 0
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48282 10538612 1 OH5F7C8 AB5C7D8 -372.67 2.64 -11.17 -0.32 0
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48283 10538614 1 BrNO2C9H16 ABC2D9E16 -125.26 6.02 -9.72 -0.61 0
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48284 10538615 1 FO2H7C16 AB2C7D16 -31.49 7.5 -9.26 -2.0 0
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48285 10538618 1 O5C13H14 A5B13C14 -161.55 6.44 -9.47 -0.88 0
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48286 10538622 2 FN2C6H6 AB2C6D6 -28.32 4.38 -9.07 -0.28 0
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48287 10538639 2 ON2C6H9 AB2C6D9 -51.09 2.48 -8.97 -0.41 0
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48288 10538648 1 O3C15H22 A3B15C22 -142.07 1.36 -9.29 0.45 0
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48289 10538653 1 O3C15H22 A3B15C22 -126.29 4.13 -9.57 -0.81 0
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48290 10538655 1 O3C15H22 A3B15C22 -124.84 4.96 -9.92 0.49 0
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48291 10538659 1 OC18H18 AB18C18 9.69 3.89 -9.06 -0.41 0
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48292 10538662 2 NOC7H11 ABC7D11 -75.9 3.68 -8.58 -0.04 0
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48293 10538664 1 N2C17H18 A2B17C18 78.12 2.49 -9.41 0.2 0
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48294 10538679 1 ClN2O2H11C12 AB2C2D11E12 -26.35 1.09 -9.33 -0.61 0
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48295 10538683 1 ClO2C14H15 AB2C14D15 -62.72 2.6 -9.04 -0.48 0
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48296 10538688 1 NO5C12H13 AB5C12D13 -185.71 4.77 -9.6 -0.53 0
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48297 10538705 1 ON3H13C15 AB3C13D15 27.8 2.93 -8.37 -0.37 0
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48298 10538718 1 NO3C14H21 AB3C14D21 -146.98 5.59 -9.64 -0.05 0
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48299 10538726 1 OC18H18 AB18C18 7.9 0.74 -8.12 0.08 0
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48300 10538735 1 NOC16H29 ABC16D29 -89.17 2.32 -8.43 2.36 0
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48301 10538749 1 O3H12C16 A3B12C16 -57.18 7.1 -9.29 -1.08 0
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48303 10538766 1 O2H16C17 A2B16C17 -43.18 4.67 -9.68 -0.07 0
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48304 10538778 3 OC5H8 AB5C8 -166.44 6.63 -10.12 0.78 0
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48305 10538782 1 N2C17H20 A2B17C20 80.41 3.14 -8.91 0.19 0
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48306 10538783 1 N2C17H20 A2B17C20 42.04 2.61 -7.87 0.0 0
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48307 10538784 1 N2C17H20 A2B17C20 40.48 2.98 -8.26 0.42 0
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48308 10538791 1 ClN2O3H9C11 AB2C3D9E11 -88.44 3.43 -9.72 -1.74 -1
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48309 10538798 1 BCl2F3H3C6 AB2C3D3E6 -212.79 9.82 0.0 0.0 0
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48310 10538804 1 NO6C11H11 AB6C11D11 -152.54 3.03 -10.78 -1.9 0
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48312 10538816 1 NO2H15C16 AB2C15D16 10.79 3.09 -9.23 -0.72 0
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48313 10538824 1 N3O3C12H19 A3B3C12D19 -97.2 3.59 -8.54 0.19 0
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48314 10538842 1 ClNOSC12H12 ABCDE12F12 -33.97 6.33 -8.58 -1.09 0
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48315 10538844 1 IO2C7H11 AB2C7D11 -93.01 4.27 -10.23 -1.36 0
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48316 10538855 1 ON6H10C12 AB6C10D12 101.73 5.37 -9.23 -1.17 0
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48317 10538864 2 NO2C6H9 AB2C6D9 -77.75 0.9 -8.96 -1.01 0
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48318 10538866 1 N2O2H14C15 A2B2C14D15 -28.09 4.18 -8.6 -0.19 0
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48319 10538868 1 N2O2H14C15 A2B2C14D15 42.94 6.1 -8.93 -1.29 0
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48320 10538880 2 O2C7H11 A2B7C11 -200.22 7.66 -10.88 -0.01 0
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48321 10538893 1 OSH14C16 ABC14D16 26.89 2.51 -8.67 -0.48 0
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48322 10538901 2 NOC7H13 ABC7D13 -133.12 1.3 -8.83 0.84 0
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48323 10538905 2 OC8H15 AB8C15 -154.34 2.2 -10.69 0.92 0
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48324 10538907 2 OC8H15 AB8C15 -144.35 5.99 -9.9 0.56 0
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48325 10538919 1 ClN4C12H19 AB4C12D19 5.9 3.69 -8.68 -0.48 0
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48326 10538921 1 BrN2F3H6C7 AB2C3D6E7 -137.27 5.4 -8.92 -0.71 0
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48327 10538934 1 NO5C12H17 AB5C12D17 -176.23 4.17 -9.7 -0.18 0
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48328 10538935 1 O2N3H13C14 A2B3C13D14 37.51 3.88 -9.36 -0.8 0
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48329 10538948 1 NOPSC12H18 ABCDE12F18 -81.61 3.21 -9.21 0.49 0
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48330 10538949 1 O2S2N3C9H9 A2B2C3D9E9 -32.08 8.74 -9.05 -2.0 0
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48331 10538951 1 NOSH13C15 ABCD13E15 34.17 1.85 -9.11 -0.59 0
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48332 10538954 1 NO3C14H25 AB3C14D25 -146.98 3.26 -8.6 0.69 0
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48333 10538963 1 NC18H25 AB18C25 3.94 2.13 -9.25 0.49 0
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48334 10538964 1 NSC15H29 ABC15D29 -54.51 2.96 -8.58 0.75 0
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48335 10538965 1 ClNOH10C15 ABCD10E15 14.47 7.41 -8.83 -0.75 0
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48336 10539004 1 N2O2C15H16 A2B2C15D16 -13.76 4.88 -9.61 -0.54 0
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48337 10539005 1 N2O2C15H16 A2B2C15D16 -39.72 2.47 -9.19 -0.77 0
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48338 10539012 1 SO2N4C10H16 AB2C4D10E16 -60.7 7.68 -8.73 -1.21 0
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48339 10539020 1 N2O3C13H24 A2B3C13D24 -182.45 4.26 -9.76 0.51 0
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48340 10539043 1 ClON2H9C14 ABC2D9E14 19.13 5.31 -9.37 -1.42 0
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48341 10539047 1 INOC7H16 ABCD7E16 -53.12 13.84 -7.48 -0.27 0
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48342 10539057 1 NO6C11H15 AB6C11D15 -90.94 2.63 -10.18 -0.84 0
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48343 10539060 1 N3O3H11C13 A3B3C11D13 -59.95 3.43 -8.24 -1.18 0
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48344 10539061 1 O2N5H11C12 A2B5C11D12 86.84 7.48 -9.19 -1.18 0
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48345 10539064 1 SN3O4C9H11 AB3C4D9E11 -32.36 2.59 -9.92 -1.77 0
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48346 10539072 1 NO3C15H15 AB3C15D15 -87.4 4.55 -9.27 -0.8 0
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48347 10539074 1 NS2O4H7C9 AB2C4D7E9 -125.46 6.46 -10.04 -1.0 0
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48348 10539078 1 NSO2H11C14 ABC2D11E14 -37.87 2.11 -9.12 -1.17 0
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48349 10539087 1 NO2C16H19 AB2C16D19 -20.77 2.46 -9.2 -0.31 0
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48350 10539089 1 ON3C15H19 AB3C15D19 -0.5 6.31 -8.67 -0.29 0
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48351 10539092 1 SO2N3C11H19 AB2C3D11E19 -61.7 7.86 -9.07 -0.61 0
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48352 10539103 1 ClNC16H16 ABC16D16 24.31 2.84 -9.25 -0.07 0
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48353 10539111 1 PO5C11H15 AB5C11D15 -256.6 6.76 -9.59 -0.66 0
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48354 10539166 1 ON2S2C11H18 AB2C2D11E18 -10.67 7.42 -8.59 -1.1 0
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48355 10539167 1 SiO3C13H26 AB3C13D26 -184.37 2.99 -9.52 0.82 0
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48356 10539168 1 ClO3N4C9H11 AB3C4D9E11 -97.65 3.5 -9.28 -0.92 0
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48357 10539176 1 ClN4C12H23 AB4C12D23 27.59 2.25 -9.19 -0.12 0
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48358 10539183 1 BrO2C11H15 AB2C11D15 -86.49 1.79 -8.23 -0.49 0
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48359 10539186 1 NF5C11H12 AB5C11D12 -243.71 4.08 -9.58 -0.03 0
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48360 10539191 1 NO4H13C14 AB4C13D14 -135.71 1.64 -8.6 -0.74 0
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48361 10539197 1 O2N5C12H13 A2B5C12D13 23.43 4.79 -8.52 -1.33 0
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48362 10539198 1 NSO5C10H13 ABC5D10E13 -196.72 5.57 -9.34 -0.49 0
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48363 10539213 1 NO3C15H17 AB3C15D17 -100.91 3.02 -9.17 -0.97 0
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48364 10539691 1 O4C15H22 A4B15C22 -177.12 3.24 -9.7 0.05 0
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48365 10540234 1 BrFNO2H9C10 ABCD2E9F10 -75.95 2.87 -9.43 -0.7 0
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48366 10540312 2 C10H17 A10B17 -3.25 0.28 -8.67 0.75 0
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48367 10540656 1 NO2C17H29 AB2C17D29 -107.08 2.49 -8.35 0.28 0
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48368 10540696 5 OC3H4 AB3C4 -174.03 2.16 -9.53 0.13 0