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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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327731 126690917 1 ClO2N4C8H13 AB2C4D8E13 -39.41 5.61 -9.12 -0.41 0
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327732 126690919 1 ClNSC17H26 ABCD17E26 -9.49 3.97 -8.56 -0.53 0
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327733 126690920 1 O2N5C14H15 A2B5C14D15 10.16 4.34 -8.51 -1.08 0
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327734 126690921 1 N3C15H17 A3B15C17 156.58 3.82 -8.53 -0.46 0
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327735 126690924 1 N2O3F6H20C22 A2B3C6D20E22 -383.24 7.07 -9.18 -1.07 0
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327736 126690925 1 NC17H17 AB17C17 52.19 1.93 -7.81 0.21 0
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327737 126690928 1 BrN2C7H7 AB2C7D7 104.16 1.07 -8.57 -0.54 0
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327738 126690931 1 N3H19C20 A3B19C20 96.32 4.35 -7.96 0.3 0
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327739 126690932 2 NC8H8 AB8C8 61.69 2.14 -7.98 -0.24 1
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327740 126690933 1 SO2N3H26C29 AB2C3D26E29 89.47 4.18 0.0 0.0 0
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327741 126690935 1 N3C20H23 A3B20C23 71.16 1.97 -7.77 0.31 1
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327742 126690938 1 OSN2H27C33 ABC2D27E33 102.09 2.97 0.0 0.0 1
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327743 126690942 1 SO3N4C38H39 AB3C4D38E39 5.44 5.57 0.0 0.0 0
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327744 126690948 1 NF3O8H24C25 AB3C8D24E25 -419.53 2.98 -8.83 -0.38 0
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327745 126690950 1 ON2H38C54 AB2C38D54 221.55 1.46 -7.83 -0.79 0
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327746 126690951 2 OC7H8 AB7C8 -33.36 1.02 -8.55 -0.4 0
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327747 126690954 1 O2N3F6C14H15 A2B3C6D14E15 -367.75 3.81 -9.44 -0.55 0
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327748 126690957 1 O3C11H14 A3B11C14 -110.07 4.54 -9.69 0.68 0
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327749 126690963 1 N3O3F6C20H21 A3B3C6D20E21 -365.51 7.69 -9.06 -0.79 0
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327750 126690967 1 ISN2O2F3C7H10 ABC2D2E3F7G10 -216.16 3.49 -9.42 -2.12 0
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327751 126690969 1 OF3C8H11 AB3C8D11 -214.87 3.38 -11.07 1.44 0
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327752 126690970 2 O3F6C16H19 A3B6C16D19 -888.05 2.05 -9.33 -0.46 0
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327753 126690976 1 NO3C19H27 AB3C19D27 -83.36 2.28 -8.03 -0.28 0
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327754 126690979 1 SO3C11H16 AB3C11D16 -123.2 4.28 -9.68 -0.18 0
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327755 126690980 1 N2C21H30 A2B21C30 10.66 2.38 -9.02 0.11 0
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327756 126690981 1 O3C22H26 A3B22C26 -114.76 6.29 -9.39 -0.01 0
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327757 126690983 1 NO6C9H13 AB6C9D13 -251.44 6.02 -9.33 -0.14 0
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327758 126690986 1 SCl2N4O9C32H32 AB2C4D9E32F32 -252.87 11.67 -9.21 -1.32 0
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327759 126690987 1 FON3C16H24 ABC3D16E24 -62.84 1.67 -8.29 0.28 0
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327761 126690989 1 IN3H6C7 AB3C6D7 70.33 4.36 -8.6 -2.9 0
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327762 126690995 1 FO2N3C17H26 AB2C3D17E26 -110.56 1.38 -8.28 0.32 0
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327763 126691000 2 O5C17H19 A5B17C19 -305.45 3.91 -8.4 -0.26 0
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327764 126691002 1 SN3O4C17H21 AB3C4D17E21 -33.88 3.32 -8.48 -1.07 0
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327765 126691012 2 NC8H9 AB8C9 98.5 3.99 -8.54 0.01 1
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327766 126691013 1 ClSN2O3H28C33 ABC2D3E28F33 4.13 4.32 0.0 0.0 0
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327767 126691025 1 SN3O3F6C16H17 AB3C3D6E16F17 -420.02 7.37 -8.52 -0.57 0
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327768 126691030 2 O4C19H19 A4B19C19 -218.53 2.05 -8.72 -0.73 0
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327769 126691032 1 O5H22C30 A5B22C30 -92.42 2.66 -8.72 -1.48 0
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327770 126691034 1 PBr2N2O3C17H31 AB2C2D3E17F31 -221.07 3.49 -8.53 -0.21 0
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327771 126691036 1 OSC32H64 ABC32D64 -181.62 2.17 -8.56 0.33 0
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327772 126691037 1 ON2H38C53 AB2C38D53 209.53 1.92 -7.8 -0.67 0
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327773 126691038 2 NH23C34 AB23C34 266.34 2.09 -7.94 -0.65 0
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327774 126691039 1 FON3C16H24 ABC3D16E24 -70.55 3.94 -8.03 0.53 0
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327775 126691041 1 OPN3H30C40 ABC3D30E40 161.38 5.13 -8.33 -0.91 0
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327776 126691042 1 NH43C58 AB43C58 214.28 1.7 -8.1 -0.39 0
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327777 126691044 1 SN2H40C56 AB2C40D56 224.11 2.44 -8.0 -0.52 0
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327778 126691045 1 NOSH31C46 ABCD31E46 206.71 2.72 -8.09 -0.62 0
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327779 126691048 1 FNOH36C51 ABCD36E51 121.11 2.71 -8.0 -0.58 0
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327780 126691049 1 SN2H40C55 AB2C40D55 242.1 1.94 -7.83 -0.65 0
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327781 126691050 1 SN2H40C53 AB2C40D53 242.33 1.48 -7.88 -0.41 0
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327782 126691051 1 N5O8C27H49 A5B8C27D49 -406.12 6.84 -9.5 0.43 0
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327783 126691055 1 OSN3H33C46 ABC3D33E46 172.85 2.75 -8.09 -0.72 0
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327784 126691056 2 O2C17H19 A2B17C19 -126.96 1.18 -8.81 0.1 0
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327785 126691064 1 SN2H38C53 AB2C38D53 229.06 1.42 -7.85 -0.41 0
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327786 126691065 1 N6O9H16C20 A6B9C16D20 -17.91 3.35 -9.67 -2.18 0
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327787 126691068 1 O3N6C29H36 A3B6C29D36 -45.58 3.14 -8.91 -0.42 0
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327788 126691069 2 O2N3C14H17 A2B3C14D17 -75.04 10.19 -8.84 -0.81 0
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327789 126691070 1 FSN2H37C54 ABC2D37E54 205.74 0.16 -7.9 -0.56 0
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327790 126691071 1 ON2H40C56 AB2C40D56 192.7 3.03 -7.89 -0.55 0
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327791 126691072 1 O4N5C24H27 A4B5C24D27 -76.03 9.23 -8.88 -0.59 0
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327792 126691073 1 N5O5C26H29 A5B5C26D29 -125.74 3.88 -9.19 -0.51 0
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327793 126691074 1 O4N5C24H27 A4B5C24D27 -78.06 4.11 -9.24 -0.51 0
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327794 126691075 1 ON2H38C54 AB2C38D54 183.22 0.54 -7.82 -0.64 0
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327795 126691076 1 OSN2H40C55 ABC2D40E55 213.89 2.45 -7.78 -0.6 0
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327796 126691077 1 OSN3H31C46 ABC3D31E46 194.26 2.53 -8.16 -0.85 0
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327797 126691078 1 ClNOPC5H11 ABCDE5F11 -74.75 2.4 -8.52 0.64 0
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327798 126691079 1 BrO3N5C24H26 AB3C5D24E26 -22.19 4.21 -8.85 -0.89 0
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327799 126691081 1 BrO3N5C24H26 AB3C5D24E26 -34.76 4.32 -9.26 -0.72 0
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327800 126691082 1 O4N5C25H29 A4B5C25D29 -77.33 9.55 -8.98 -0.44 0
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327801 126691084 1 N2O2C25H32 A2B2C25D32 -73.38 2.27 -8.87 0.24 0
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327802 126691086 2 SO6C7H10 AB6C7D10 -486.26 4.29 -8.89 -1.11 0
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327803 126691087 1 F3N3O3H20C21 A3B3C3D20E21 -261.57 6.39 -9.4 -0.79 0
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327804 126691088 1 NSH21C28 ABC21D28 105.57 2.77 -8.06 -0.57 0
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327805 126691089 1 NPC3O3H8 ABC3D3E8 -120.6 3.24 -9.15 -1.62 0
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327806 126691091 1 NSH45C62 ABC45D62 225.34 2.0 -8.14 -0.71 0