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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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440950 135232419 1 PN3O7C27H33 AB3C7D27E33 -308.91 10.28 0.0 0.0 1
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440951 135232422 1 N2O3C26H29 A2B3C26D29 -82.21 7.82 0.0 0.0 1
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440952 135232426 1 N3O3C28H32 A3B3C28D32 -73.59 7.46 0.0 0.0 1
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440953 135232428 1 N2O5C29H33 A2B5C29D33 -149.21 3.93 0.0 0.0 1
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440954 135232432 1 N2O5C30H33 A2B5C30D33 -164.91 9.36 0.0 0.0 0
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440955 135232439 1 NO4H21C23 AB4C21D23 -90.64 9.34 -8.52 -1.33 0
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440956 135232444 1 NPSO8H16C20 ABCD8E16F20 -321.65 13.08 -8.7 -1.96 0
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440957 135232448 1 NO4H21C23 AB4C21D23 -109.6 18.36 -8.69 -1.81 0
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440958 135232453 1 NO6C26H27 AB6C26D27 -188.41 17.25 -8.58 -1.69 1
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440959 135232460 1 SN2O2H27C31 AB2C2D27E31 36.77 8.36 0.0 0.0 1
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440960 135232466 1 SN2O6C29H35 AB2C6D29E35 -216.2 3.69 0.0 0.0 0
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440961 135232468 1 SN3O8C41H51 AB3C8D41E51 -235.74 34.5 -8.26 -2.36 1
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440962 135232469 1 SN3O8C41H52 AB3C8D41E52 -308.03 3.63 0.0 0.0 0
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440963 135232492 1 NO2C16H23 AB2C16D23 -75.68 3.53 -7.36 0.04 0
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440964 135232494 1 NOC16H23 ABC16D23 -37.4 0.41 -7.67 0.43 0
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440965 135232502 1 NO4C18H25 AB4C18D25 -175.69 10.78 -8.48 -0.11 0
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440966 135232510 1 NO4H27C29 AB4C27D29 -90.96 10.92 -8.28 -1.32 0
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440967 135232512 1 NO3H29C30 AB3C29D30 -47.82 11.91 -8.27 -1.22 0
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440968 135232513 1 SN4C8H10 AB4C8D10 58.88 2.12 -9.05 -1.2 0
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440969 135232516 1 N3C12H17 A3B12C17 53.62 2.88 -8.2 -0.07 0
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440970 135232525 1 SO2N4H18C20 AB2C4D18E20 -14.65 7.17 -8.56 -0.92 0
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440971 135232531 1 SO3N5H23C27 AB3C5D23E27 -10.44 6.18 -8.28 -1.18 0
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440972 135232534 1 SN4O5C22H22 AB4C5D22E22 -144.36 5.61 -8.46 -1.22 0
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440973 135232538 1 SO2N6C26H26 AB2C6D26E26 18.83 6.87 -8.25 -0.64 0
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440974 135232539 1 SO3N5C22H25 AB3C5D22E25 -58.11 8.55 -8.19 -0.52 0
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440975 135232540 1 SO2N5C20H21 AB2C5D20E21 -12.4 7.82 -8.44 -0.73 0
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440976 135232542 1 N11C24H43 A11B24C43 76.23 4.31 -8.54 -0.48 0
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440979 135232563 1 NC17H25 AB17C25 -9.77 1.32 -8.48 0.51 0
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440980 135232572 1 FN3C12H12 AB3C12D12 38.28 1.73 -8.51 -0.66 0
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440981 135232574 2 NC7H10 AB7C10 25.86 1.4 -8.73 0.14 0
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440982 135232575 1 ON3C10H11 AB3C10D11 18.1 2.59 -8.91 -0.52 0
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440983 135232577 1 O3N6C23H24 A3B6C23D24 -12.86 5.39 -8.33 -0.72 0
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440984 135232581 1 N3C11H15 A3B11C15 36.86 1.86 -8.58 0.0 0
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440985 135232585 1 N2O2H30C49 A2B2C30D49 145.47 2.49 -8.07 -0.85 0
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440986 135232587 1 N2O2H34C49 A2B2C34D49 140.97 3.11 -7.93 -0.88 0
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440987 135232590 1 NO2H27C38 AB2C27D38 80.36 4.09 -8.52 -0.77 0
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440988 135232591 1 N3C15H23 A3B15C23 23.48 2.17 -8.78 -0.22 0
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440989 135232593 1 N2S2O6H30C49 A2B2C6D30E49 -10.86 10.61 -8.79 -1.47 0
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440990 135232594 1 SN3C9H11 AB3C9D11 35.6 5.69 -8.58 -0.65 0
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440991 135232595 1 NO2H31C50 AB2C31D50 138.52 4.07 -8.36 -0.9 0
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440992 135232601 1 Cl2O3N6H12C20 A2B3C6D12E20 46.32 2.99 -8.67 -1.6 0
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440993 135232604 1 SO3C7H10 AB3C7D10 -74.25 4.17 -10.57 -0.04 0
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440994 135232612 1 SN3C11H11 AB3C11D11 60.2 2.66 -8.5 -0.69 0
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440995 135232617 1 PF2N3O8C27H32 AB2C3D8E27F32 -468.15 5.76 -8.89 -0.62 0
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440996 135232619 1 PF2N3O8C26H34 AB2C3D8E26F34 -487.68 6.38 -9.45 -0.68 0
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440997 135232621 1 PF2N3O8C25H34 AB2C3D8E25F34 -490.19 7.84 -9.61 -0.56 0
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440998 135232622 1 PF2N4O9C23H37 AB2C4D9E23F37 -573.44 4.07 -9.78 -0.74 0
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440999 135232623 1 PF2N4O9C29H45 AB2C4D9E29F45 -590.0 3.51 -9.62 -0.57 0
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441000 135232632 1 PF2N4O8C22H29 AB2C4D8E22F29 -481.52 4.52 -9.47 -0.73 0
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441001 135232642 1 N4C9H12 A4B9C12 52.09 6.78 -8.58 -0.29 0
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441002 135232644 1 OSN3H7C8 ABC3D7E8 34.18 3.42 -8.76 -0.94 0
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441003 135232652 1 OPN3C8H8 ABC3D8E8 33.03 3.41 -9.02 -0.84 0
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441004 135232654 1 N3C10H13 A3B10C13 53.23 3.5 -8.17 -0.08 0
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441005 135232656 1 PSN3C9H10 ABC3D9E10 55.32 1.52 -8.59 -1.16 0
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441006 135232658 1 ISN3H6C8 ABC3D6E8 89.53 3.75 -9.02 -1.64 0
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441007 135232676 1 SN4O25C48H74 AB4C25D48E74 -1093.63 6.02 -9.22 -1.08 0
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441008 135232678 1 FON4H7C8 ABC4D7E8 19.57 3.08 -9.57 -1.37 0
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441009 135232682 1 IN4H7C8 AB4C7D8 100.74 1.53 -8.7 -1.23 0
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441010 135232686 1 N5O30C46H77 A5B30C46D77 -1382.74 22.65 -9.56 -0.3 0
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441011 135232699 1 SN4O24C46H80 AB4C24D46E80 -1133.53 7.61 -9.54 -1.23 0
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441012 135232701 1 N5O27C43H71 A5B27C43D71 -1253.4 3.87 -9.4 0.33 0
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441013 135232707 1 N5O30C47H79 A5B30C47D79 -1384.94 20.79 -8.9 -0.26 0
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441014 135232713 1 N4O20C31H54 A4B20C31D54 -923.03 10.09 -9.28 0.05 0
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441015 135232714 1 SN5O32C45H77 AB5C32D45E77 -1442.1 18.63 -9.35 -1.53 0
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441016 135232717 1 N5O31C62H97 A5B31C62D97 -1421.74 13.92 -8.82 -0.05 0
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441017 135232718 1 N5O27C56H87 A5B27C56D87 -1189.97 8.65 -9.24 -0.43 0
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441018 135232720 1 SN5O32C46H79 AB5C32D46E79 -1441.94 16.98 -8.84 -1.4 0
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441019 135232725 1 N5O30C47H79 A5B30C47D79 -1376.72 19.74 -9.34 -0.22 0
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441020 135232726 3 NC4H5 AB4C5 48.68 1.92 -8.76 -0.43 0
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441021 135232727 1 N3C14H17 A3B14C17 69.12 2.73 -8.29 -0.43 0
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441022 135232732 1 F3N3O7H12C17 A3B3C7D12E17 -307.88 2.15 -10.06 -2.06 0
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441023 135232734 1 N4C9H10 A4B9C10 52.42 4.07 -8.63 -0.42 0
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441024 135232755 1 ON3C14H21 AB3C14D21 -29.31 4.53 -8.99 -0.2 0
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441025 135232762 1 OSN2H6C8 ABC2D6E8 89.96 8.65 -8.18 -2.02 0
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441026 135232765 1 PN4C9H11 AB4C9D11 77.88 2.75 -8.42 -0.6 0
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441027 135232767 1 NC30H37 AB30C37 29.57 2.22 -8.38 0.15 0
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441028 135232768 1 SN2O2C31H32 AB2C2D31E32 77.14 3.94 -8.4 -1.65 0
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441029 135232769 1 ClON3C28H34 ABC3D28E34 42.3 4.55 -8.89 -0.95 0
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441030 135232770 1 FON4H5C7 ABC4D5E7 22.06 4.09 -9.77 -1.56 0
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441031 135232771 1 N3C10H11 A3B10C11 60.32 2.41 -8.89 -0.7 0
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441032 135232772 2 NOC14H16 ABC14D16 5.46 1.83 -9.07 -0.37 0
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441033 135232774 1 NSO5C19H19 ABC5D19E19 -127.67 4.31 -8.53 -0.3 0
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441034 135232776 1 SN3O3C18H27 AB3C3D18E27 -86.84 7.67 -7.9 -0.51 0
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441035 135232779 1 N4C11H12 A4B11C12 66.28 0.74 -9.27 -0.75 0
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441036 135232787 2 NO3F6H13C19 AB3C6D13E19 -764.74 3.62 -9.31 -2.29 0
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441037 135232788 1 N5C8H9 A5B8C9 83.23 2.88 -8.19 -0.55 1
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441038 135232799 1 PN7O8C42H51 AB7C8D42E51 -227.76 37.89 0.0 0.0 0
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441039 135232804 1 F3O3N5H28C30 A3B3C5D28E30 -192.13 3.31 -9.02 -0.28 0
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441040 135232805 1 ClSN3H8C9 ABC3D8E9 68.94 2.26 -8.44 -0.92 0
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441041 135232812 1 SN3C11H13 AB3C11D13 55.24 1.9 -8.4 -0.96 0
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441042 135232855 1 ClF3O3N5H29C30 AB3C3D5E29F30 -210.39 5.88 -9.37 -0.96 0
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441043 135232860 1 ClOF2N3C22H22 ABC2D3E22F22 -88.93 3.47 -8.58 -0.28 0
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441044 135232862 1 N3C11H13 A3B11C13 71.14 1.77 -9.44 -0.52 0
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441045 135232864 1 F2O2N3C16H25 A2B2C3D16E25 -159.18 2.6 -9.07 -0.17 0
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441046 135232865 1 ON2C7H12 AB2C7D12 -26.98 4.88 -9.18 0.79 0
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441047 135232871 1 N5C9H13 A5B9C13 92.15 3.32 -8.52 0.06 0
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441048 135232872 1 OSN3C19H27 ABC3D19E27 -20.17 2.58 -8.84 -0.43 0
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441049 135232876 1 O2N3C12H23 A2B3C12D23 -72.35 3.08 -8.83 0.47 0
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441050 135232877 1 ClF4O4N5H24C29 AB4C4D5E24F29 -258.36 5.49 -9.27 -1.13 0
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441051 135232878 1 ClF3O4N5H29C31 AB3C4D5E29F31 -243.59 7.28 -9.64 -1.15 1