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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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139913 52617013 1 F3O3N4C22H23 A3B3C4D22E23 -180.06 4.67 -9.09 -1.18 0
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139914 52617014 1 SO2F3N4C22H23 AB2C3D4E22F23 -131.88 3.19 -9.01 -1.21 0
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139915 52617374 1 SN3O5C21H27 AB3C5D21E27 -163.97 3.89 -9.48 -0.65 0
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139916 52617375 1 SN3O5C21H27 AB3C5D21E27 -161.55 9.8 -9.54 -0.62 0
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139917 52617596 1 SO2N5H21C24 AB2C5D21E24 27.92 11.16 -8.54 -1.56 0
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139918 52617718 1 ClO2N4C20H23 AB2C4D20E23 -44.57 2.6 -9.04 -0.35 0
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139919 52617756 2 NOC8H9 ABC8D9 -34.08 2.81 -9.14 -0.18 0
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139920 52617930 1 NSO3C19H23 ABC3D19E23 -69.5 3.82 -8.67 -0.62 0
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139921 52617931 1 NO6C18H19 AB6C18D19 -111.74 7.59 -8.9 -1.15 0
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139922 52617932 1 BrFNO2H15C19 ABCD2E15F19 -63.93 3.25 -9.02 -0.95 0
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139923 52617944 1 NO6C17H17 AB6C17D17 -105.52 10.18 -8.95 -1.16 0
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139924 52618428 1 Cl2N3O4H9C15 A2B3C4D9E15 23.28 4.67 -9.96 -1.96 0
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139925 52618607 1 N5O7H19C22 A5B7C19D22 -81.75 8.77 -9.17 -1.84 0
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139926 52618630 1 N3O6H19C21 A3B6C19D21 -100.52 8.16 -9.67 -1.09 0
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139927 52619035 1 FS2N3O4H14C19 AB2C3D4E14F19 -4.52 9.29 -9.24 -1.42 0
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139928 52619176 1 N2O5C22H22 A2B5C22D22 -65.47 7.13 -8.63 -1.41 0
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139929 52619177 2 NO2C10H12 AB2C10D12 -63.43 6.78 -9.31 -1.39 0
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139930 52619178 2 NO2C9H13 AB2C9D13 -97.61 7.69 -9.45 -1.32 0
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139931 52619218 1 N2O4C19H22 A2B4C19D22 -66.37 2.8 -9.54 -1.46 0
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139932 52619219 1 N2O4C19H22 A2B4C19D22 -64.53 3.47 -9.47 -1.46 0
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139933 52619220 1 BrN2O4C17H17 AB2C4D17E17 -48.02 4.4 -9.72 -1.52 0
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139934 52619252 1 N2O4C11H14 A2B4C11D14 -69.05 5.85 -9.51 -1.31 0
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139935 52619813 1 SO4N5C17H17 AB4C5D17E17 43.83 6.65 -9.66 -1.92 0
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139936 52620044 1 N3O3H23C24 A3B3C23D24 -58.71 6.3 -8.65 -1.26 0
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139937 52620045 1 SBr2O2N3C15H15 AB2C2D3E15F15 -30.28 6.74 -8.88 -1.21 0
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139938 52620046 1 O2N6H24C25 A2B6C24D25 39.97 10.05 -8.72 -1.05 0
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139939 52620047 1 FSO2N5C24H24 ABC2D5E24F24 -35.18 6.86 -8.6 -0.55 0
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139940 52620048 1 N3O4C21H23 A3B4C21D23 -119.3 4.79 -8.8 -1.23 0
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139941 52620049 1 Cl2O2N3C19H19 A2B2C3D19E19 -53.08 6.31 -8.73 -0.97 0
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139942 52620127 1 FSN3O3H16C19 ABC3D3E16F19 -21.31 5.02 -9.5 -1.6 0
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139943 52620145 1 OS2N6H12C16 AB2C6D12E16 135.41 3.34 -8.97 -1.56 1
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139944 52620803 1 ON3C22H34 AB3C22D34 -23.67 2.97 0.0 0.0 0
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139945 52620804 1 ON3C22H33 AB3C22D33 -45.31 3.72 -8.36 0.09 1
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139946 52620805 1 ON3C22H34 AB3C22D34 -24.51 3.8 0.0 0.0 0
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139947 52620806 1 ON3C22H33 AB3C22D33 -45.51 1.17 -8.26 0.17 0
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139948 52620928 1 ON2C25H28 AB2C25D28 1.67 4.72 -8.82 -0.45 0
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139949 52620965 1 N2S2O5C21H26 A2B2C5D21E26 -167.83 7.36 -9.38 -0.81 0
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139950 52621266 1 ClNO4H14C15 ABC4D14E15 -125.21 5.72 -9.03 -1.3 0
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139951 52621393 1 NO2C17H25 AB2C17D25 -81.32 3.24 -8.28 0.33 0
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139952 52621394 1 NO2C17H25 AB2C17D25 -81.76 3.42 -8.26 0.35 0
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139953 52621395 1 NO2C17H25 AB2C17D25 -84.23 3.43 -8.25 0.36 0
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139954 52621396 1 NO2C17H25 AB2C17D25 -82.29 3.25 -8.29 0.33 0
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139955 52621397 1 N2O3C16H16 A2B3C16D16 1.54 3.12 -8.44 -1.34 0
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139956 52621398 2 NOC9H9 ABC9D9 1.47 3.14 -8.26 -0.57 0
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139957 52621399 1 O2N3H17C18 A2B3C17D18 34.47 2.04 -8.62 -0.74 0
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139958 52621400 1 N2O2C19H28 A2B2C19D28 -85.53 6.12 -8.12 0.45 0
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139959 52621401 1 O2N3C14H17 A2B3C14D17 -26.65 1.44 -8.47 0.01 0
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139960 52621464 1 NSO5C15H23 ABC5D15E23 -199.55 6.41 -9.33 -0.43 0
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139961 52622045 1 SN2O3C17H22 AB2C3D17E22 -98.13 6.12 -8.74 -0.35 0
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139962 52622338 1 N4O4C23H34 A4B4C23D34 -185.2 8.67 -8.79 -0.38 0
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139963 52622340 1 SN3O3C20H31 AB3C3D20E31 -127.41 5.81 -8.79 -0.84 0
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139964 52622425 1 ON2C16H20 AB2C16D20 -1.85 5.96 -9.48 -0.58 0
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139965 52622681 1 FN3O3C26H30 AB3C3D26E30 -140.74 3.54 -8.91 -0.41 0
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139966 52622767 1 SN3O5C21H33 AB3C5D21E33 -229.42 2.83 -9.58 -0.8 0
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139967 52622768 1 SN2O3C23H36 AB2C3D23E36 -175.58 4.3 -8.96 -0.5 0
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139968 52622769 1 SN2O3C23H36 AB2C3D23E36 -176.45 4.0 -8.98 -0.3 1
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139969 52622988 1 OF3N3C14H27 AB3C3D14E27 -222.96 2.08 0.0 0.0 0
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139970 52623496 1 O2N5C14H23 A2B5C14D23 -62.79 2.14 -8.91 -0.13 0
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139971 52623754 1 ClN2O2F3H16C17 AB2C2D3E16F17 -202.72 5.63 -9.53 -1.03 1
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139972 52625040 1 ClN2O3C23H30 AB2C3D23E30 -77.62 3.03 0.0 0.0 0
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139973 52625041 1 ClN2O3C23H29 AB2C3D23E29 -96.29 3.47 -8.28 0.11 1
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139974 52625282 1 ON2C20H33 AB2C20D33 -34.19 3.64 0.0 0.0 0
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139975 52625283 1 ON2C20H32 AB2C20D32 -58.09 4.04 -8.94 0.36 1
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139976 52625286 1 ON2C21H29 AB2C21D29 4.1 5.49 0.0 0.0 1
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139977 52625316 1 N2O3C22H31 A2B3C22D31 -77.7 4.29 0.0 0.0 1
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139978 52625812 1 N4O4C23H31 A4B4C23D31 -127.75 3.67 0.0 0.0 0
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139979 52626169 2 NO2C13H17 AB2C13D17 -136.54 7.87 -8.56 -0.38 0
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139980 52626325 1 ClN3O3C25H36 AB3C3D25E36 -143.52 2.03 -8.83 -0.44 0
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139981 52626366 1 N2O3C21H22 A2B3C21D22 -47.74 5.61 -8.83 -0.89 0
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139982 52626466 1 SN3O3C22H35 AB3C3D22E35 -123.39 2.55 -8.37 0.25 0
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139983 52626467 1 OSN3C23H25 ABC3D23E25 29.12 6.42 -8.22 -0.17 0
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139984 52626468 1 OSN3C23H25 ABC3D23E25 30.06 6.33 -8.23 -0.28 0
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139985 52626607 1 ClSN2O2C23H25 ABC2D2E23F25 -56.0 6.0 -9.24 -0.38 0
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139986 52626608 1 ClSN2O2C23H25 ABC2D2E23F25 -57.29 1.88 -8.96 -0.62 1
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139987 52626862 1 O2N4C21H29 A2B4C21D29 -53.55 2.62 0.0 0.0 0
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139988 52627176 1 N2O2C19H24 A2B2C19D24 -61.16 5.0 -8.42 0.2 1
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139989 52627462 1 O3N4C22H31 A3B4C22D31 -68.74 8.53 0.0 0.0 0
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139990 52627625 1 O3N4C22H28 A3B4C22D28 -67.62 1.95 -8.47 0.13 0
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139991 52627732 1 S2N3O3C20H33 A2B3C3D20E33 -128.58 4.19 -8.67 -0.96 0
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139992 52627778 1 SN3O4C22H35 AB3C4D22E35 -160.86 4.63 -8.76 -0.88 0
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139993 52627810 2 ClNOC8H8 ABCD8E8 -59.78 3.27 -9.31 -0.93 0
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139994 52627811 1 N2O4C21H28 A2B4C21D28 -136.54 6.26 -8.55 -0.15 0
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139995 52627812 1 ClN2O3C20H25 AB2C3D20E25 -117.53 5.82 -8.62 -0.3 1
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139996 52628294 1 OSN6C23H35 ABC6D23E35 37.58 10.14 0.0 0.0 0
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139997 52628295 1 OSN6C23H34 ABC6D23E34 21.71 5.56 -8.62 -0.86 1
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139998 52628374 1 SO2N4C26H33 AB2C4D26E33 20.47 8.42 0.0 0.0 0
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139999 52628375 1 SO2N4C26H32 AB2C4D26E32 1.69 4.02 -8.54 -0.83 1
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140000 52628376 1 SO2N4C26H33 AB2C4D26E33 16.73 5.69 0.0 0.0 0
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140001 52628377 1 SO2N4C26H32 AB2C4D26E32 2.54 2.35 -8.62 -0.83 1
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140002 52628462 1 O2F3N3C22H31 A2B3C3D22E31 -235.34 6.56 0.0 0.0 0
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140003 52628463 1 O2F3N3C22H30 A2B3C3D22E30 -251.56 6.93 -8.85 -0.09 0
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140004 52628725 1 OCl2N2C21H24 AB2C2D21E24 -37.86 1.86 -8.96 -0.6 1
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140005 52628726 1 N3O3C28H32 A3B3C28D32 -33.82 13.63 0.0 0.0 0
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140006 52629273 1 N2S3O5C19H20 A2B3C5D19E20 -113.38 9.13 -9.43 -1.38 0
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140007 52629455 1 O4N5C24H31 A4B5C24D31 -55.91 4.95 -8.06 -1.79 1
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140008 52629456 1 SO3N4C25H37 AB3C4D25E37 -62.11 7.17 0.0 0.0 0
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140009 52629457 1 SO3N4C25H36 AB3C4D25E36 -88.22 6.2 -8.38 -0.79 1
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140010 52629458 1 ClOSN3C23H27 ABCD3E23F27 35.74 3.68 0.0 0.0 0
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140011 52630045 1 O2F3N3C22H30 A2B3C3D22E30 -250.43 5.51 -8.92 -0.08 0
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140012 52630143 1 BrN2O2C24H33 AB2C2D24E33 -125.89 5.48 -9.72 -0.47 0