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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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311942 126599423 1 O5N7C33H43 A5B7C33D43 -165.51 7.71 -8.81 -1.0 0
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311943 126599424 1 O3N7C28H35 A3B7C28D35 -45.96 4.15 -8.61 -1.02 0
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311944 126599425 1 O4N6C27H34 A4B6C27D34 -82.68 4.39 -8.63 -0.59 0
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311945 126599426 1 NO2C10H19 AB2C10D19 -111.58 3.75 -9.07 1.32 0
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311946 126599428 1 O4N6C33H46 A4B6C33D46 -118.06 3.74 -8.88 -0.89 0
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311947 126599429 1 NS2O8C23H27 AB2C8D23E27 -307.82 4.65 -9.65 -1.91 0
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311948 126599430 1 NF3C11H14 AB3C11D14 -146.1 4.98 -8.97 -0.43 0
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311949 126599431 1 S2O6N10C35H48 A2B6C10D35E48 -188.49 2.27 -9.14 -1.5 0
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311950 126599432 1 NO4C8H15 AB4C8D15 -161.45 2.45 -10.26 -0.1 0
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311951 126599433 3 ON3C14H15 AB3C14D15 56.26 3.84 -8.72 -0.91 0
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311952 126599434 1 BrO3N4C22H23 AB3C4D22E23 -44.77 1.47 -8.94 -1.09 0
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311953 126599435 2 ON4C16H19 AB4C16D19 54.31 4.01 -8.78 -1.04 0
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311954 126599436 1 SN2O2C12H16 AB2C2D12E16 -63.12 4.27 -8.3 -0.29 0
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311955 126599437 1 N2O5C7H10 A2B5C7D10 -199.27 0.97 -10.82 -1.02 0
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311956 126599438 1 O2N6C29H36 A2B6C29D36 -18.85 8.01 -8.2 -0.65 0
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311957 126599439 1 O2N6C31H42 A2B6C31D42 -17.22 2.8 -7.96 -0.68 0
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311958 126599440 1 PSCl2N4O9C20H29 ABC2D4E9F20G29 -395.19 6.65 -9.85 -1.43 0
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311959 126599441 1 O5N8C35H40 A5B8C35D40 -64.46 3.82 -8.03 -0.48 0
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311960 126599442 1 NPSO5C7H16 ABCD5E7F16 -259.48 2.17 -10.01 -0.52 0
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311961 126599443 1 N5C17H19 A5B17C19 130.98 4.51 -8.33 -0.51 0
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311962 126599444 1 ClPSN5O9C14H21 ABCD5E9F14G21 -377.83 4.07 -9.28 -0.81 0
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311963 126599445 1 IOSF2N7H14C17 ABCD2E7F14G17 45.51 7.59 -9.13 -2.7 0
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311964 126599496 1 O5N8C23H30 A5B8C23D30 -107.14 3.98 -8.63 -0.28 0
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311965 126599864 1 BrO2N3C17H18 AB2C3D17E18 18.13 2.08 -9.03 -0.92 0
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311966 126599888 1 F2O2N5H21C22 A2B2C5D21E22 -15.14 4.21 -8.94 -1.46 0
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311967 126599974 1 ClN2O2C12H17 AB2C2D12E17 -45.2 2.87 -8.43 0.0 0
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311968 126600007 1 OSN6C20H22 ABC6D20E22 68.89 8.12 -9.23 -0.69 0
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311969 126600054 1 OSN7C22H25 ABC7D22E25 97.36 8.26 -8.94 -0.7 0
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311970 126600075 1 SO2N3C9H13 AB2C3D9E13 -58.66 9.11 -9.74 -1.26 0
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311971 126600084 1 N4C9H24 A4B9C24 -23.44 4.7 -9.14 2.62 0
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311972 126600101 2 O3N8C28H29 A3B8C28D29 46.72 9.81 -8.29 -1.0 0
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311973 126600120 1 ClFN7H21C23 ABC7D21E23 70.85 5.11 -8.04 -0.96 0
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311974 126600148 1 ON2C10H12 AB2C10D12 38.23 6.24 -10.69 0.24 0
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311975 126600152 1 ClF3N3O3H17C20 AB3C3D3E17F20 -161.3 4.76 -9.12 -1.13 0
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311976 126600207 2 ON2F4H5C10 AB2C4D5E10 -368.16 6.27 -10.08 -1.71 0
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311977 126600217 1 N3O3F6H19C22 A3B3C6D19E22 -363.59 5.53 -9.25 -1.29 0
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311978 126600260 1 N2F3O3H19C20 A2B3C3D19E20 -203.85 5.14 -9.47 -1.32 0
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311979 126600262 1 N4O5F6H18C22 A4B5C6D18E22 -441.27 5.79 -8.82 -1.49 0
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311980 126600263 3 NOF2H5C7 ABC2D5E7 -327.26 4.22 -9.72 -1.43 0
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311981 126600264 1 ON4F6H14C20 AB4C6D14E20 -241.69 1.85 -9.13 -1.6 0
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311982 126600267 1 N3O4F6H13C19 A3B4C6D13E19 -317.74 6.3 -10.01 -1.65 0
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311983 126600359 1 OSN3F6H13C20 ABC3D6E13F20 -238.99 5.3 -9.18 -1.4 0
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311984 126600387 1 ClN2F3O5H12C13 AB2C3D5E12F13 -270.24 5.61 -10.11 -1.7 0
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311985 126600391 1 F3N3O4H16C17 A3B3C4D16E17 -192.71 4.27 -9.69 -1.31 0
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311986 126600412 1 O3N4F6H18C22 A3B4C6D18E22 -368.1 7.19 -8.8 -1.51 0
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311987 126600416 1 O2N5F6H11C19 A2B5C6D11E19 -263.64 8.25 -10.04 -1.68 0
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311988 126600427 1 N3O3F6H19C22 A3B3C6D19E22 -365.7 3.45 -9.24 -1.54 0
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311989 126600433 1 ClN4O4F6H11C19 AB4C4D6E11F19 -323.51 6.08 -10.1 -1.93 0
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311990 126600594 1 N3O4F6H15C20 A3B4C6D15E20 -396.88 7.8 -9.05 -1.51 0
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311991 126600655 1 O3N4C22H28 A3B4C22D28 -88.01 5.36 -8.75 -0.66 0
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311992 126600661 1 NO5C19H25 AB5C19D25 -194.31 4.62 -9.02 -0.08 0
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311993 126600674 1 ClFO2N5C19H23 ABC2D5E19F23 -95.65 7.56 -9.1 -0.85 0
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311994 126600704 2 NO2C8H10 AB2C8D10 -93.83 4.96 -9.44 -1.32 0
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311995 126600711 2 NO2C9H13 AB2C9D13 -175.74 4.75 -8.66 -0.66 0
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311996 126600712 1 ClN2O4C17H25 AB2C4D17E25 -197.24 3.13 -9.12 -1.04 0
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311997 126600713 1 N2O4C17H24 A2B4C17D24 -160.7 1.21 -8.59 -0.55 0
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311998 126600714 1 SF3N4O5H13C15 AB3C4D5E13F15 -258.9 5.56 -9.85 -1.99 0
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311999 126600715 1 O2F3N5C20H22 A2B3C5D20E22 -171.32 4.23 -8.9 -0.83 0
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312000 126600716 1 N2O3C15H20 A2B3C15D20 -91.35 1.45 -8.68 -0.79 0
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312001 126600717 1 ClSN4O6C28H33 ABC4D6E28F33 -207.73 7.58 -8.61 -0.77 0
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312002 126600719 1 NSF3O6C13H14 ABC3D6E13F14 -373.62 2.16 -9.86 -1.83 0
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312003 126600722 1 FO3N4C21H25 AB3C4D21E25 -129.13 1.91 -8.71 -0.66 0
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312004 126600740 1 ClSN5O6C17H26 ABC5D6E17F26 -249.19 6.94 -9.5 -1.0 0
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312005 126600741 1 ClFN9C23H31 ABC9D23E31 38.36 5.09 -8.18 -0.62 0
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312006 126600742 1 FCl2N10C21H29 AB2C10D21E29 27.93 5.65 -8.8 -0.93 0
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312007 126600760 1 N7O10H47C50 A7B10C47D50 -247.8 9.33 -8.49 -1.61 0
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312008 126600767 1 N7O12H53C55 A7B12C53D55 -328.21 5.13 -8.55 -1.48 1
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312009 126600775 1 N8O9C48H53 A8B9C48D53 -223.77 17.45 0.0 0.0 0
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312010 126600801 2 NO4C7H8 AB4C7D8 -226.15 7.76 -9.54 -1.71 0
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312011 126600902 1 NO3C12H13 AB3C12D13 -84.72 0.37 -9.81 -0.96 0
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312012 126600903 1 F3O4N5H20C24 A3B4C5D20E24 -130.83 1.14 -9.18 -1.33 0
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312013 126600937 1 OH4C6F10 AB4C6D10 -557.61 0.94 -12.86 -0.57 0
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312014 126600947 2 NCl2O4H8C13 AB2C4D8E13 -242.02 10.2 -9.59 -1.86 0
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312015 126601009 1 ON2C11H14 AB2C11D14 24.27 4.37 -8.51 0.05 0
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312016 126601251 1 O2C19H34 A2B19C34 -158.22 4.86 -10.35 0.62 0