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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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448859 135294130 1 OF2N2C18H18 AB2C2D18E18 -80.18 2.81 -8.57 -0.56 0
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448860 135294133 1 FNO3C20H22 ABC3D20E22 -137.99 6.86 -9.17 -1.1 0
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448861 135294140 1 PSN2O5C23H29 ABC2D5E23F29 -206.41 2.25 -8.47 -1.19 0
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448862 135294141 1 PN3O8C30H36 AB3C8D30E36 -285.19 4.18 -7.86 -1.28 0
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448863 135294142 1 ClON3C21H24 ABC3D21E24 15.0 4.94 -8.93 -1.02 0
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448864 135294148 1 PSN2O5C21H23 ABC2D5E21F23 -175.84 7.27 -8.26 -1.54 0
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448865 135294149 1 FO2N3C19H24 AB2C3D19E24 -100.26 2.55 -8.54 -1.06 0
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448866 135294157 1 NPO6C24H28 ABC6D24E28 -221.74 4.13 -7.87 -1.2 0
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448867 135294166 1 NO3C14H25 AB3C14D25 -158.43 5.17 -9.4 0.0 0
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448868 135294170 1 NPO2H24C28 ABC2D24E28 26.02 0.87 -7.73 -1.1 0
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448869 135294171 1 PN2O2C12H13 AB2C2D12E13 -0.18 4.15 -9.24 -1.1 0
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448870 135294172 1 N3C31H45 A3B31C45 31.61 1.26 -8.22 0.4 0
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448871 135294178 1 N3C29H35 A3B29C35 94.98 6.73 -8.2 -0.62 1
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448872 135294186 1 PN2O4C21H32 AB2C4D21E32 -166.71 7.55 0.0 0.0 0
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448873 135294191 1 NC11H19 AB11C19 -13.79 1.85 -8.26 1.31 0
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448874 135294194 1 NPO3C13H28 ABC3D13E28 -196.45 1.45 -8.2 0.93 0
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448875 135294197 1 PN3O6C32H48 AB3C6D32E48 -311.39 6.68 -8.03 0.13 1
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448876 135294199 1 PO2C13H20 AB2C13D20 -62.0 6.89 0.0 0.0 0
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448877 135294202 1 PSC7H7 ABC7D7 68.24 3.98 -8.77 -1.99 0
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448878 135294219 2 NO7C14H25 AB7C14D25 -674.5 11.47 -9.89 -0.41 0
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448879 135294221 1 ON2H22C23 AB2C22D23 26.76 3.63 -8.42 -0.15 0
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448880 135294224 1 SF2N2C24H38 AB2C2D24E38 -136.48 4.83 -8.8 0.02 0
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448881 135294227 1 N5C27H49 A5B27C49 49.33 2.48 -8.71 0.35 0
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448882 135294250 1 NC18H21 AB18C21 41.27 2.35 -8.47 -0.12 0
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448883 135294256 1 FON6C29H45 ABC6D29E45 -56.22 11.23 -8.95 -0.84 0
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448884 135294258 1 FSO2N5C26H36 ABC2D5E26F36 -101.81 11.94 -8.4 -0.77 0
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448885 135294276 1 NF3O3C16H16 AB3C3D16E16 -255.97 3.43 -8.78 -1.15 0
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448886 135294292 1 FNC24H24 ABC24D24 4.98 1.89 -8.71 0.0 0
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448887 135294296 1 SO2N4C31H44 AB2C4D31E44 -24.96 6.98 -8.97 -0.34 0
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448888 135294311 1 IC5H5N6 AB5C5D6 84.8 0.99 -8.65 -2.8 0
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448889 135294321 1 OSN4C19H24 ABC4D19E24 22.85 2.96 -8.97 -1.17 0
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448890 135294338 1 SN2O2C19H30 AB2C2D19E30 -87.65 3.79 -8.48 -0.19 0
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448891 135294340 1 OSN2C23H30 ABC2D23E30 -18.65 3.34 -8.52 -0.2 0
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448892 135294351 1 N3O3C22H33 A3B3C22D33 -109.9 2.67 -9.86 -0.61 0
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448893 135294361 1 ClOSN5C28H44 ABCD5E28F44 -56.15 9.23 -8.86 0.0 0
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448894 135294367 1 OSN5C34H61 ABC5D34E61 -70.47 4.19 -8.11 -0.03 0
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448895 135294370 1 OSN6C23H34 ABC6D23E34 20.55 10.83 -9.29 -0.54 0
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448896 135294371 1 SO2N6C28H46 AB2C6D28E46 -73.76 6.28 -8.01 -0.35 0
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448897 135294372 1 SO2N9C24H41 AB2C9D24E41 8.75 10.97 -8.51 -0.62 0
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448898 135294375 1 SN2O3C24H36 AB2C3D24E36 -145.29 2.26 -8.53 -0.31 0
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448899 135294384 1 SN2O2C24H36 AB2C2D24E36 -100.06 4.49 -8.72 -0.58 0
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448900 135294386 1 OSN2C22H34 ABC2D22E34 -61.72 3.39 -8.5 -0.09 0
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448901 135294394 1 SO3N6C25H38 AB3C6D25E38 -91.99 8.61 -8.15 -0.85 0
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448902 135294402 1 ClSN5C19H24 ABC5D19E24 38.12 6.53 -8.62 -0.53 0
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448903 135294410 1 ClSO2N5C28H40 ABC2D5E28F40 -55.82 9.08 -8.57 -0.74 0
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448904 135294416 1 OSN6C19H26 ABC6D19E26 0.93 3.05 -8.43 -0.44 0
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448905 135294418 1 SO2N6C29H46 AB2C6D29E46 -72.64 6.23 -8.94 -0.76 0
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448906 135294420 1 SN3C18H27 AB3C18D27 35.89 3.8 -8.9 -0.2 0
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448907 135294425 1 OSN5C28H43 ABC5D28E43 -25.74 9.79 -8.59 -0.4 0
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448908 135294441 1 SO3N6C27H44 AB3C6D27E44 -33.07 6.77 -8.76 -1.64 0
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448909 135294444 1 SN5C28H45 AB5C28D45 9.09 5.85 -8.63 0.14 0
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448910 135294452 1 IN3O3C19H34 AB3C3D19E34 -177.84 2.46 -8.95 -0.7 0
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448911 135294454 1 ClFISN5C18H20 ABCDE5F18G20 26.66 8.7 -8.72 -2.66 0
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448912 135294457 1 S2F6N11C39H45 A2B6C11D39E45 -201.29 13.61 -8.6 -0.88 0
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448913 135294462 1 OSF2N5C32H47 ABC2D5E32F47 -132.83 4.67 -8.33 -0.28 0
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448914 135294470 1 OSN6C26H44 ABC6D26E44 -29.53 3.05 -8.75 -0.61 0
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448915 135294472 1 SO2N6C24H36 AB2C6D24E36 -52.87 10.88 -8.49 -0.69 0
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448916 135294474 1 OSN9C22H33 ABC9D22E33 89.42 6.1 -9.2 -0.78 0
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448917 135294489 1 SF2N4C23H34 AB2C4D23E34 -53.22 5.15 -8.41 -0.34 0
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448918 135294496 1 O3C25H40 A3B25C40 -169.95 1.88 -8.51 0.25 0
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448919 135294498 1 SN2O2C21H32 AB2C2D21E32 -88.75 4.4 -8.63 -0.24 0
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448920 135294499 1 ClSN4C20H31 ABC4D20E31 41.71 5.22 -8.12 0.1 0
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448921 135294506 1 ClOSN5C17H20 ABCD5E17F20 18.46 3.4 -8.68 -0.73 0
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448922 135294521 1 S2F6N12C39H46 A2B6C12D39E46 -200.15 15.46 -8.41 -0.94 0
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448923 135294531 1 SO2N5C34H53 AB2C5D34E53 -110.26 11.72 -8.49 -0.31 0
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448924 135294535 1 OSN5C29H45 ABC5D29E45 -30.63 8.99 -8.8 -0.54 0
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448925 135294536 1 N3O3C8H13 A3B3C8D13 -32.87 5.0 -9.62 -0.86 0
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448926 135294538 1 OSCl2N5C19H23 ABC2D5E19F23 6.65 7.73 -8.49 -0.76 0
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448927 135294547 1 N4C5H10 A4B5C10 45.12 2.7 -9.04 0.16 0
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448928 135294550 1 ClOSN6C19H25 ABCD6E19F25 4.93 4.33 -8.64 -0.46 0
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448929 135294557 1 FOSN7C24H28 ABCD7E24F28 21.14 7.96 -8.32 -0.97 0
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448930 135294558 1 ON2C4H8 AB2C4D8 -29.98 5.68 -8.8 0.11 0
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448931 135294562 2 N2C5H11 A2B5C11 8.56 2.89 -8.34 2.22 0
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448932 135294569 1 NSO2C12H17 ABC2D12E17 -77.92 1.77 -9.01 -0.82 0
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448933 135294571 1 S2F6N11C40H45 A2B6C11D40E45 -186.09 9.86 -8.58 -0.89 0
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448934 135294572 1 ClFON6H14C16 ABCD6E14F16 18.75 5.42 -8.48 -0.98 0
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448935 135294573 1 ON2C10H18 AB2C10D18 -27.12 1.17 -8.7 0.21 0
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448936 135294578 1 OSF3N7H20C21 ABC3D7E20F21 -66.75 4.4 -8.27 -1.76 0
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448937 135294595 1 OSN8C26H30 ABC8D26E30 80.86 5.4 -8.29 -0.88 0
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448938 135294598 1 SO4N7C37H53 AB4C7D37E53 -127.98 4.36 -8.2 -1.0 0
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448939 135294613 1 ICl2N5C15H16 AB2C5D15E16 63.97 2.25 -8.49 -1.84 0
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448940 135294620 1 SN2O4C19H36 AB2C4D19E36 -225.04 5.14 -8.52 0.51 0
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448941 135294621 1 N6C27H38 A6B27C38 77.59 3.98 -8.01 -0.13 0
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448942 135294623 1 OSCl2N5C18H21 ABC2D5E18F21 -0.21 6.26 -8.74 -0.74 0
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448943 135294624 1 O2N7C23H29 A2B7C23D29 -6.66 3.87 -8.41 -0.62 0
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448944 135294641 1 BrN2O2C16H23 AB2C2D16E23 -93.16 1.12 -9.15 -0.28 0
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448945 135294651 1 N3O3C16H29 A3B3C16D29 -151.18 3.36 -9.21 0.72 0
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448946 135294653 1 O2N7C37H69 A2B7C37D69 -89.23 2.35 -8.59 0.6 0
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448947 135294667 1 IOSN7C27H32 ABCD7E27F32 85.99 5.08 -8.39 -0.97 0
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448948 135294670 1 SN2O4H32C34 AB2C4D32E34 -41.02 8.76 -9.24 -1.07 0
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448949 135294682 2 NOF3H18C19 ABC3D18E19 -283.03 7.28 -9.12 -1.06 0
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448950 135294687 1 N2O4F6H36C39 A2B4C6D36E39 -349.98 4.83 -8.68 -1.68 0
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448951 135294690 1 NO5C28H45 AB5C28D45 -215.85 3.03 -8.88 -0.65 0
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448952 135294698 1 BrSN2C17H19 ABC2D17E19 48.96 0.61 -8.37 -0.38 0
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448953 135294707 2 NOC9H11 ABC9D11 -34.88 6.07 -9.15 -0.56 0
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448954 135294711 1 NO5C22H33 AB5C22D33 -233.94 3.03 -8.72 -0.92 0
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448955 135294723 1 BrO2N6C27H31 AB2C6D27E31 16.32 5.2 -8.31 -0.76 0
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448956 135294726 1 BrF2O2N6C26H27 AB2C2D6E26F27 -48.77 8.3 -8.53 -0.93 0
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448957 135294753 1 S3N4C11H22 A3B4C11D22 14.78 8.23 -8.64 -0.7 0
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448958 135294763 1 ON3C6H7 AB3C6D7 67.26 3.13 -8.43 -0.95 0