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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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19331 561664 1 O3C13H16 A3B13C16 -110.19 3.18 -9.46 0.09 0
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19332 561719 1 ClO2C10H17 AB2C10D17 -132.18 2.66 -10.85 0.48 0
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19333 561855 1 OC9H10 AB9C10 -12.82 2.94 -10.06 0.68 0
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19334 561876 1 OC11H14 AB11C14 -16.12 1.9 -9.35 0.39 0
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19335 561896 1 FNSO2H18C20 ABCD2E18F20 -51.02 3.58 -9.43 -0.82 0
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19336 561920 1 SN2O2C22H28 AB2C2D22E28 -69.67 2.93 -8.94 -0.14 0
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19337 561943 1 OC12H16 AB12C16 55.93 2.44 -9.17 1.23 0
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19338 561968 2 OC7H10 AB7C10 -99.0 1.66 -9.35 0.37 0
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19339 561973 1 NOH13C14 ABC13D14 55.5 0.36 -9.05 -0.27 0
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19340 561975 1 NO2S3C27H31 AB2C3D27E31 -29.51 5.86 -8.31 -0.52 0
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19341 561989 1 NO3C8H9 AB3C8D9 -38.3 4.8 -10.22 -1.29 0
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19342 562002 1 C11H14 A11B14 25.26 0.31 -9.3 0.43 0
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19343 562004 1 O2C17H26 A2B17C26 -110.39 1.84 -9.52 0.25 0
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19344 562041 1 NO8H41C43 AB8C41D43 -203.36 5.86 -9.29 -0.8 0
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19345 562193 3 O2C9H10 A2B9C10 -186.85 1.68 -9.32 -0.04 0
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19346 562194 1 O5C10H12 A5B10C12 -198.01 3.2 -9.91 -0.51 0
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19347 562199 1 OC15H20 AB15C20 -27.38 1.85 -9.26 0.38 0
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19348 562206 1 O3C16H24 A3B16C24 -135.06 1.56 -9.33 0.37 0
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19349 562279 1 NO2C11H13 AB2C11D13 -51.57 1.98 -9.61 0.0 0
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19350 562298 1 NO2C21H31 AB2C21D31 -108.4 5.84 -9.49 0.15 0
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19351 562302 1 OSN2C22H26 ABC2D22E26 16.43 6.24 -8.33 -0.22 0
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19352 562324 1 SiO3C14H22 AB3C14D22 -174.45 2.39 -9.42 0.28 0
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19353 562334 1 O2C25H40 A2B25C40 -123.23 1.17 -8.73 0.65 0
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19355 562378 1 ON2F3H15C19 AB2C3D15E19 -110.95 6.4 -8.9 -1.08 0
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19356 562480 2 O2C5H6 A2B5C6 -141.14 7.3 -9.19 -0.11 0
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19357 562499 2 NC7H9 AB7C9 40.45 3.37 -8.96 0.28 0
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19358 562580 1 C11H14 A11B14 25.27 0.27 -8.86 0.44 0
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19359 562606 2 ON2H8C9 AB2C8D9 39.28 6.5 -8.65 -1.51 0
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19360 562721 1 NPSO5C24H26 ABCD5E24F26 -197.29 0.56 -8.58 -0.13 0
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19361 562732 2 NO2C14H15 AB2C14D15 -81.47 4.07 -8.83 -0.19 0
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19362 562735 1 N4H6C7 A4B6C7 87.94 7.3 -9.42 -1.16 0
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19363 562739 1 BrN2O2C16H17 AB2C2D16E17 -10.22 2.75 -8.88 -0.88 0
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19365 562742 1 OC15H20 AB15C20 -47.77 3.32 -9.43 0.28 0
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19366 562745 1 N2O2H16C17 A2B2C16D17 -36.9 5.27 -8.95 -0.3 0
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19367 562746 1 OSi2C13H24 AB2C13D24 -119.99 0.95 -9.09 0.28 0
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19368 562747 1 SN3O3H13C15 AB3C3D13E15 -5.66 3.49 -9.28 -1.28 0
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19369 562767 1 SN2O6H14C15 AB2C6D14E15 -119.14 4.99 -9.9 -2.18 0
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19370 562768 1 BO2C8H9 AB2C8D9 -121.62 2.2 -9.49 0.17 0
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19371 562769 1 O2H8C9 A2B8C9 -42.97 4.81 -10.02 -0.69 0
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19372 562770 1 NO2C10H13 AB2C10D13 -31.27 2.95 -8.86 0.18 0
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19373 562771 1 C11H16 A11B16 70.54 0.93 -9.29 0.3 0
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19374 562772 1 O2H8C9 A2B8C9 -11.21 1.12 -10.48 -1.98 0
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19375 562776 1 NOC13H17 ABC13D17 -27.93 3.42 -9.5 0.2 0
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19376 562777 1 FeO5H10C12 AB5C10D12 -12.18 2.74 -7.23 0.68 -4
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19377 562779 1 NS2F3H10C11 AB2C3D10E11 -118.28 6.09 -8.87 -0.84 0
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19378 562780 3 NOC6H7 ABC6D7 -83.03 5.14 -9.58 -0.01 0
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19379 562782 1 ON2S2H14C16 AB2C2D14E16 63.42 2.0 -8.68 -1.1 0
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19380 562783 1 N2S3H14C16 A2B3C14D16 108.02 1.08 -8.69 -1.1 0
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19381 562785 1 NO5C15H17 AB5C15D17 -164.48 2.91 -9.68 0.02 0
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19382 562787 1 ClSO3C10H13 ABC3D10E13 -133.51 7.92 -9.61 -0.71 0
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19383 562794 1 SN3C15H15 AB3C15D15 74.66 3.81 -8.77 -0.51 0
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19384 562827 1 SO7C13H16 AB7C13D16 -276.64 6.33 -10.1 -0.83 0
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19385 562868 1 S2O9C27H28 A2B9C27D28 -302.49 10.16 -9.29 -0.64 0
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19386 562869 1 BrNSO2H12C15 ABCD2E12F15 -16.37 7.08 -8.85 -0.87 0
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19387 562871 1 SN2O3C13H20 AB2C3D13E20 -105.53 5.67 -9.55 -0.52 0
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19388 562873 1 ClSO4C11H13 ABC4D11E13 -161.42 5.91 -10.34 -0.69 0
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19389 562874 1 Cl2S2O4H14C15 A2B2C4D14E15 -108.83 6.54 -9.92 -0.68 0
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19390 562876 1 S3O4C13H14 A3B4C13D14 -114.36 1.24 -9.5 -1.0 0
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19391 562881 1 SN3O3C9H13 AB3C3D9E13 -83.86 6.85 -10.09 -0.6 0
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19392 562883 3 NSO2C8H9 ABC2D8E9 -178.16 5.72 -9.54 -0.63 0
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19393 562885 1 SN3O5F9H10C14 AB3C5D9E10F14 -606.35 5.5 -10.5 -1.05 0
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19394 562886 1 SO4H12C14 AB4C12D14 -46.78 4.89 -9.33 -1.02 0
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19395 562887 1 S2O6C17H20 A2B6C17D20 -216.05 0.38 -8.9 -0.32 0
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19396 562888 1 NSO5C12H13 ABC5D12E13 -181.09 9.96 -10.04 -1.18 0
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19397 562905 2 NOSC8H9 ABCD8E9 -28.63 5.49 -8.7 -0.65 0
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19398 563007 1 O3N5C13H13 A3B5C13D13 -40.53 2.46 -9.69 -1.17 0
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19399 563040 1 N4O4H18C21 A4B4C18D21 28.57 8.35 -9.13 -1.55 0
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19400 563042 1 SN4O7C18H22 AB4C7D18E22 -230.16 5.08 -10.3 -0.69 0
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19401 563110 1 F3O3C13H15 A3B3C13D15 -287.56 4.37 -9.72 0.01 0
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19402 563140 1 NO9H33C36 AB9C33D36 -276.02 4.29 -9.56 -0.78 0
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19403 563143 1 NO3H21C22 AB3C21D22 -28.28 2.52 -8.03 -0.09 0
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19404 563147 1 NO3H27C28 AB3C27D28 -24.15 3.28 -8.63 -0.15 0
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19405 563152 1 F2O7H38C43 A2B7C38D43 -207.66 5.97 -8.62 -0.42 0
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19406 563160 1 N2O2H20C21 A2B2C20D21 4.56 4.79 -8.46 -0.81 0
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19407 563167 1 N2O2H20C21 A2B2C20D21 14.49 4.03 -8.66 -0.06 0