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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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315873 126629223 2 NO2C22H35 AB2C22D35 -208.55 1.43 -9.32 -1.52 0
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315874 126629226 1 O5N6C33H46 A5B6C33D46 -172.93 10.83 -8.87 -1.02 0
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315875 126629227 1 O5N6C34H46 A5B6C34D46 -182.1 6.16 -8.68 -0.84 0
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315876 126629228 1 SCl2N2H12C13 AB2C2D12E13 25.99 1.0 -8.51 -0.5 0
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315879 126629237 1 ClN5O5C31H42 AB5C5D31E42 -202.74 3.28 -9.07 -0.92 0
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315880 126629243 1 O2N3H11C12 A2B3C11D12 -2.26 4.16 -8.59 -0.62 0
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315881 126629245 1 OSN2F4C21H22 ABC2D4E21F22 -201.45 5.14 -8.74 -0.58 0
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315882 126629252 1 O4N6C31H44 A4B6C31D44 -154.97 7.59 -8.79 -0.57 0
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315883 126629260 1 ClSN2O2F3C21H22 ABC2D2E3F21G22 -188.51 2.77 -8.65 -0.65 0
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315884 126629272 2 OSN2H12C13 ABC2D12E13 33.09 5.93 -8.85 -1.07 0
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315885 126629284 1 FN2O3C25H25 AB2C3D25E25 -90.86 5.84 -9.1 -0.54 0
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315886 126629294 1 F2N2O3H24C25 A2B2C3D24E25 -138.15 4.6 -9.32 -0.74 0
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315887 126629296 1 FN2O3C28H31 AB2C3D28E31 -101.18 3.95 -8.46 -0.24 0
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315888 126629303 1 F2N2O3H24C25 A2B2C3D24E25 -143.36 6.28 -9.4 -0.98 0
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315889 126629308 1 FN3O3C23H24 AB3C3D23E24 -84.44 6.15 -9.1 -0.58 0
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315892 126629323 1 FN3O3C24H26 AB3C3D24E26 -94.14 5.5 -8.83 -0.39 0
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315894 126629347 1 FN2O3C28H29 AB2C3D28E29 -99.56 3.32 -9.38 -0.67 0
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315895 126629349 1 FN2O2C28H31 AB2C2D28E31 -60.07 6.8 -8.92 -0.44 0
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315896 126629350 1 FN2O3C26H27 AB2C3D26E27 -86.71 1.74 -9.36 -0.57 0
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315898 126629361 1 FNO3H24C25 ABC3D24E25 -98.35 4.79 -8.69 -0.34 0
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315899 126629362 1 FN2O3C23H23 AB2C3D23E23 -114.67 5.37 -9.33 -0.68 0
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315900 126629363 1 FN2O3C23H23 AB2C3D23E23 -113.06 6.27 -9.23 -0.54 0
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315901 126629365 1 FN2O3C26H27 AB2C3D26E27 -99.67 4.84 -9.12 -0.5 0
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315905 126629393 1 FO2N3C22H22 AB2C3D22E22 -71.12 3.4 -8.56 -0.48 0
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315906 126629399 1 FO2N3C25H28 AB2C3D25E28 -87.88 2.78 -8.36 -0.35 0
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315907 126629406 1 N2O3C25H28 A2B3C25D28 -75.91 5.63 -9.12 -0.42 0
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315908 126629407 1 NO3C26H27 AB3C26D27 -54.98 7.52 -9.07 -0.54 0
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315910 126629412 1 N2O3C25H26 A2B3C25D26 -41.76 5.22 -8.94 -0.54 0
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315912 126629417 1 ClFN2O3H24C25 ABC2D3E24F25 -101.37 5.24 -9.15 -0.6 0
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315914 126629423 1 FN3O5C30H36 AB3C5D30E36 -222.02 5.41 -9.18 -0.69 0
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315919 126629432 1 FN2O3C28H31 AB2C3D28E31 -130.32 5.3 -9.0 -0.5 0
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315920 126629433 1 ON4C27H30 AB4C27D30 68.08 3.51 -8.94 -0.4 0
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315921 126629439 1 FN2O3H23C25 AB2C3D23E25 -70.58 4.22 -9.35 -1.07 0
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315922 126629440 1 IH3C9 AB3C9 211.98 3.07 -9.39 -1.01 0
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315923 126629441 1 HIC12 ABC12 344.38 0.54 -9.52 -1.32 0
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315924 126629451 1 Cl3N6O8C38H51 A3B6C8D38E51 -355.21 3.44 -9.06 -0.82 0
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315925 126629452 1 O3N6C31H46 A3B6C31D46 -123.39 2.58 -9.0 -0.55 0
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315926 126629454 1 N6O7C34H46 A6B7C34D46 -268.39 3.83 -9.28 -0.64 0
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315927 126629455 1 N6O7C35H50 A6B7C35D50 -289.43 7.16 -9.15 -0.72 0
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315929 126629458 1 O3C20H30 A3B20C30 -140.52 2.03 -8.72 -0.25 0
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315930 126629459 1 FN2O2C26H27 AB2C2D26E27 -56.36 5.91 -9.05 -0.43 0
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315931 126629460 1 FN2O2C26H29 AB2C2D26E29 -89.92 4.09 -9.01 -0.35 0
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315933 126629462 1 BrN3C17H20 AB3C17D20 51.52 4.71 -9.14 -0.18 0
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315934 126629463 1 ION4C10H17 ABC4D10E17 12.48 2.66 -9.34 -2.33 0
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315935 126629464 1 N5O7C32H43 A5B7C32D43 -278.83 6.78 -9.31 -0.83 0
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315936 126629465 1 BrON3C19H24 ABC3D19E24 118.38 23.5 -6.42 -2.73 1
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315937 126629466 1 PO4C13H20 AB4C13D20 -191.89 4.54 0.0 0.0 0
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315938 126629467 1 O3C18H26 A3B18C26 -143.98 2.98 -8.8 -0.12 0
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315940 126629469 1 N6O7C38H56 A6B7C38D56 -295.13 6.73 -8.9 -0.81 0
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315941 126629470 1 N5O5C29H39 A5B5C29D39 -179.41 8.88 -9.18 -0.86 0
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315942 126629471 1 NO8C13H19 AB8C13D19 -345.7 3.6 -10.39 -0.64 0
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315943 126629472 1 ON4C25H26 AB4C25D26 97.56 4.2 -9.08 -0.54 0
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315945 126629474 1 N2O5C23H32 A2B5C23D32 -195.38 6.05 -9.13 0.0 0
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315946 126629475 2 NO4H12C13 AB4C12D13 -267.41 2.97 -9.53 -1.69 0
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315947 126629476 1 ON4C27H32 AB4C27D32 64.48 4.98 -8.8 -0.32 0
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315948 126629477 1 N2O6C29H38 A2B6C29D38 -225.57 5.31 -9.26 -0.91 0
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315949 126629478 1 N2O5C27H36 A2B5C27D36 -192.62 2.96 -9.17 -0.96 0
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315950 126629479 1 N2O5C30H34 A2B5C30D34 -151.38 4.16 -9.18 -0.97 0
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315951 126629480 1 BrOSN2C18H23 ABCD2E18F23 -0.62 2.76 -8.78 -1.0 0
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315952 126629481 1 N2F3O6C33H37 A2B3C6D33E37 -364.98 4.99 -9.25 -1.06 0
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315953 126629482 1 N2O7C30H40 A2B7C30D40 -273.05 4.9 -9.21 -0.94 0
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315954 126629483 1 N2O8C35H42 A2B8C35D42 -266.36 9.08 -9.38 -0.95 0
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315955 126629484 1 N2O7C35H42 A2B7C35D42 -242.8 3.21 -9.32 -0.73 0
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315959 126629490 1 N4O6C31H42 A4B6C31D42 -230.05 8.8 -8.75 -0.58 0
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315961 126629492 1 ClON2C8H15 ABC2D8E15 -73.91 4.08 -9.24 -0.24 0
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315962 126629493 1 BrN3C18H24 AB3C18D24 40.21 5.09 -9.02 -0.13 0
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315963 126629495 1 OC9H12 AB9C12 -24.55 2.16 -8.18 0.41 0
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315964 126629498 1 SO6C12H24 AB6C12D24 -314.31 3.99 -10.32 -0.08 0
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315965 126629503 1 ON2H30C49 AB2C30D49 200.02 3.63 -8.04 -0.57 0
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315966 126629505 1 NH35C47 AB35C47 171.66 1.38 -8.13 -0.56 0
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315968 126629508 1 FN5O5C30H38 AB5C5D30E38 -184.56 6.2 -9.16 -1.18 0
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315969 126629511 1 N2H38C61 A2B38C61 276.65 0.61 -8.11 -0.62 0
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315971 126629513 1 N3H43C67 A3B43C67 315.48 1.61 -7.75 -0.66 0
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315972 126629517 1 ON3H37C61 AB3C37D61 459.66 3.34 -7.83 -0.72 0
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315973 126629518 1 N2H38C61 A2B38C61 461.19 1.43 -7.99 -1.12 0