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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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136912 52121713 1 O2N4C25H39 A2B4C25D39 -55.98 10.49 0.0 0.0 0
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136913 52121984 1 O2N5C29H37 A2B5C29D37 -13.65 3.23 -8.16 -0.86 0
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136914 52122171 1 O3N4C20H22 A3B4C20D22 -20.29 2.56 -9.12 -0.84 1
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136915 52122210 1 O2N4C25H31 A2B4C25D31 3.48 8.84 0.0 0.0 2
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136916 52122272 1 O2N6C23H36 A2B6C23D36 -11.78 11.63 -6.66 -0.13 0
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136917 52122273 1 O2N6C23H34 A2B6C23D34 -20.5 1.26 -8.37 -0.83 0
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136918 52122489 1 O2N6C21H24 A2B6C21D24 29.14 3.6 -9.13 -1.22 0
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136919 52122733 1 O2N5C18H23 A2B5C18D23 7.71 4.82 -9.21 -1.16 0
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136920 52122925 1 SO2F3N4C21H21 AB2C3D4E21F21 -146.42 7.68 -9.14 -1.12 1
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136921 52123216 1 N4O4C20H27 A4B4C20D27 -105.47 8.29 0.0 0.0 0
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136922 52123217 2 N2O2C10H13 A2B2C10D13 -114.88 6.78 -9.07 -0.64 1
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136923 52123218 1 O4N5C24H34 A4B5C24D34 -115.74 8.28 0.0 0.0 0
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136924 52123235 1 O2N5C22H25 A2B5C22D25 10.76 7.15 -9.01 -0.72 0
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136925 52123295 1 N4O4C25H30 A4B4C25D30 -74.01 5.27 -8.46 -0.66 1
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136926 52123296 1 O2N5C27H34 A2B5C27D34 5.65 10.3 0.0 0.0 0
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136927 52123297 1 O2N5C27H33 A2B5C27D33 -6.85 8.97 -8.32 -0.68 2
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136928 52123298 1 O2N5C28H37 A2B5C28D37 103.59 56.55 -3.87 -2.71 1
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136929 52123648 1 ClF2O2N4C22H22 AB2C2D4E22F22 -83.59 7.82 0.0 0.0 0
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136930 52123649 1 ClF2O2N4H21C22 AB2C2D4E21F22 -93.37 3.71 -9.53 -1.2 1
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136931 52123650 1 ClF2O2N4C22H22 AB2C2D4E22F22 -82.11 10.32 0.0 0.0 0
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136932 52123709 1 FO4N5C25H34 AB4C5D25E34 -185.89 6.82 -9.2 -0.97 0
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136933 52123731 1 FO2N4C24H25 AB2C4D24E25 -45.67 4.16 -9.2 -1.0 1
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136934 52123732 1 FO2N4C24H26 AB2C4D24E26 -32.56 10.11 0.0 0.0 2
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136935 52125028 1 O4N5C28H35 A4B5C28D35 -22.58 28.58 -5.85 -1.7 1
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136936 52125056 1 N5O5C23H32 A5B5C23D32 -111.15 6.66 0.0 0.0 0
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136937 52125133 2 N2O3C13H16 A2B3C13D16 -145.77 1.76 -8.29 -0.73 1
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136938 52125446 1 O3N4C25H31 A3B4C25D31 -35.08 7.57 0.0 0.0 0
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136939 52125785 1 O2N5C28H35 A2B5C28D35 -5.94 5.7 -8.72 -0.91 1
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136940 52126152 1 N4O4C26H33 A4B4C26D33 -68.57 10.75 0.0 0.0 0
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136941 52126623 2 ON2C9H13 AB2C9D13 2.78 3.55 -8.65 -0.49 1
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136942 52126812 1 ClON4C17H24 ABC4D17E24 54.72 3.57 0.0 0.0 0
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136943 52127177 1 N3O3C20H21 A3B3C20D21 -53.14 6.18 -9.65 -0.62 0
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136944 52127396 1 FO3N8C22H25 AB3C8D22E25 11.61 3.44 -9.08 -1.1 0
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136945 52127472 1 SO4N7C16H21 AB4C7D16E21 -43.0 4.93 -8.84 -1.0 1
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136946 52127476 1 SO3N8C17H23 AB3C8D17E23 25.14 9.7 0.0 0.0 0
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136947 52127979 1 OS2N3C10H17 AB2C3D10E17 -12.69 4.69 -8.92 -1.39 0
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136948 52128198 1 ClNSO4C22H28 ABCD4E22F28 -157.62 5.82 -9.33 -0.28 0
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136949 52128199 1 ClNSO4C19H22 ABCD4E19F22 -147.95 9.59 -9.35 -0.4 0
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136950 52128200 1 ClNSO4C19H20 ABCD4E19F20 -111.71 6.31 -9.37 -0.28 0
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136951 52128369 1 NO2F3H12C17 AB2C3D12E17 -176.04 5.24 -9.32 -1.21 0
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136952 52128370 1 NO2H15C20 AB2C15D20 4.28 4.29 -8.53 -1.02 0
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136953 52128371 1 NO2H15C20 AB2C15D20 2.51 4.2 -8.56 -1.0 0
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136954 52128372 1 SN2O4H14C16 AB2C4D14E16 -90.26 9.0 -9.51 -1.33 0
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136955 52128373 1 ClNO2F3H11C17 ABC2D3E11F17 -183.1 6.48 -9.39 -1.28 0
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136956 52129001 1 SN2O5C22H24 AB2C5D22E24 -144.35 10.14 -9.22 -1.37 0
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136957 52129002 1 SN2O5C22H24 AB2C5D22E24 -146.5 10.24 -9.33 -1.37 0
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136958 52129654 1 FNO3H22C24 ABC3D22E24 -76.57 3.53 -9.31 -0.78 0
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136959 52130041 1 ClSN2O4H13C19 ABC2D4E13F19 -72.55 5.58 -9.43 -1.63 0
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136960 52130376 1 SN4O5H18C21 AB4C5D18E21 -88.65 9.91 -9.16 -1.42 1
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136961 52130648 1 ClN2O3C22H26 AB2C3D22E26 -60.43 0.29 0.0 0.0 0
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136962 52130649 1 ClN2O3C22H25 AB2C3D22E25 -65.35 2.16 -8.75 -0.96 1
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136963 52130771 1 N2O3C23H33 A2B3C23D33 -73.44 14.04 0.0 0.0 0
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136964 52131526 1 ClNSO3H16C21 ABCD3E16F21 -14.17 3.64 -8.78 -1.01 0
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136965 52131618 1 ClN2O2C21H21 AB2C2D21E21 -17.05 2.04 -8.98 -1.03 0
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136966 52131842 1 FNO4H16C25 ABC4D16E25 -70.52 1.92 -9.09 -1.16 0
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136967 52131997 1 ClFNO3H19C21 ABCD3E19F21 -107.83 4.37 -9.45 -0.88 0
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136968 52132539 1 O4N7C12H17 A4B7C12D17 -11.74 3.19 -9.71 -0.99 0
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136969 52132585 2 ON4C12H12 AB4C12D12 100.64 6.01 -8.83 -1.06 0
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136970 52132676 1 OSN7C15H19 ABC7D15E19 60.7 7.21 -9.26 -1.11 0
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136971 52132740 1 SN5C18H23 AB5C18D23 82.74 4.73 -8.68 -0.39 0
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136972 52132741 1 SN5C15H23 AB5C15D23 54.19 5.06 -8.84 -0.38 0
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136973 52133092 1 SN5C13H19 AB5C13D19 83.9 6.5 -8.32 0.01 0
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136974 52133136 1 OSN6C14H22 ABC6D14E22 15.66 8.53 -8.59 -0.18 0
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136975 52133235 1 SO2N6C16H22 AB2C6D16E22 -14.43 8.4 -8.81 -0.54 0
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136976 52133236 1 SO2N6C17H24 AB2C6D17E24 -24.1 6.03 -9.05 -1.0 0
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136977 52133595 1 OSN6C15H22 ABC6D15E22 40.65 3.39 -8.59 -0.35 0
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136978 52134012 1 OSN4C10H18 ABC4D10E18 -11.41 4.27 -9.06 -0.46 0
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136979 52134085 1 SO2N6C16H20 AB2C6D16E20 28.66 1.92 -9.07 -0.8 0
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136980 52134086 1 SO2N6C16H24 AB2C6D16E24 -15.36 2.24 -8.93 -0.59 1
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136981 52134310 1 SN6C17H29 AB6C17D29 50.18 4.69 0.0 0.0 0
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136982 52134460 1 SO2N6C16H24 AB2C6D16E24 -28.08 6.32 -9.19 -0.65 0
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136983 52134572 1 SN5C15H25 AB5C15D25 44.16 5.66 -8.72 0.02 0
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136984 52134735 1 SO2N5C15H23 AB2C5D15E23 -6.96 1.61 -9.08 -0.66 0
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136985 52134917 1 SN5C15H23 AB5C15D23 59.77 4.95 -8.95 -0.11 0
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136986 52134961 1 FNSO2C17H20 ABCD2E17F20 -96.65 5.3 -9.56 -0.18 0
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136987 52134962 1 SO2N8C23H32 AB2C8D23E32 7.82 9.36 -8.71 -0.78 0
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136988 52134963 1 SO3N8C22H30 AB3C8D22E30 -19.81 9.02 -8.66 -0.95 0
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136989 52134964 1 OSN6C15H20 ABC6D15E20 62.72 7.32 -8.8 -0.43 0
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136990 52134965 1 OSN6C18H26 ABC6D18E26 47.51 7.14 -8.75 -0.42 0
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136991 52134966 1 OSN6C13H20 ABC6D13E20 29.68 6.64 -9.13 -0.52 0
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136992 52134967 1 OSN6C14H22 ABC6D14E22 29.69 6.06 -8.92 -0.35 0
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136993 52135276 1 SN5C18H23 AB5C18D23 85.09 2.29 -8.62 -0.24 0
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136994 52135277 1 SN5C15H23 AB5C15D23 56.68 5.2 -8.67 0.11 0
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136995 52135278 1 SO2N5C15H23 AB2C5D15E23 -30.51 8.51 -9.12 -0.42 0
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136996 52135532 1 SO2N7C17H23 AB2C7D17E23 42.13 11.49 -9.14 -0.7 1
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136997 52135543 1 SN6C16H29 AB6C16D29 81.34 6.71 0.0 0.0 0
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136998 52135544 1 SN6C16H28 AB6C16D28 58.99 7.74 -8.62 0.07 0
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136999 52135545 1 SN5C20H27 AB5C20D27 72.88 8.52 -8.53 -0.11 0
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137000 52135546 1 SN5C17H27 AB5C17D27 42.13 3.42 -8.62 0.11 0
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137001 52135547 1 SO2N5C17H27 AB2C5D17E27 -40.99 7.69 -8.87 -0.32 0
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137002 52135548 1 SO2N5C17H27 AB2C5D17E27 -43.64 4.6 -9.08 -0.41 0
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137003 52135552 1 SN5C20H27 AB5C20D27 78.91 9.41 -8.93 -0.2 0
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137004 52136332 1 SO2N7C15H19 AB2C7D15E19 56.3 3.59 -8.94 -0.76 0
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137005 52136333 1 OSN6C16H26 ABC6D16E26 5.35 7.38 -8.72 -0.5 0
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137006 52136644 1 ClOSN6C19H19 ABCD6E19F19 92.58 7.61 -8.53 -0.68 0
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137007 52136645 1 ClSO2N6C19H19 ABC2D6E19F19 61.24 7.47 -8.53 -0.66 0
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137008 52136652 1 ClSO2N8C17H21 ABC2D8E17F21 26.28 9.19 -8.44 -0.5 0
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137009 52136719 1 ClSO2N5C14H20 ABC2D5E14F20 -25.63 9.44 -8.52 -0.28 0
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137010 52137206 1 OSN3C13H23 ABC3D13E23 -34.69 4.22 -8.88 -0.19 0
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137011 52137659 1 ClOSN4C17H19 ABCD4E17F19 38.02 4.98 -8.91 -1.06 0