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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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12871 147390 1 O2Cl4C5 A2B4C5 -55.54 3.16 -9.74 -2.17 0
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12872 147404 1 BrO2H11C15 AB2C11D15 12.37 1.89 -9.82 -1.13 0
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12873 147405 2 O2C5H5 A2B5C5 -133.44 2.08 -10.51 -1.97 0
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12874 147407 1 O8C17H24 A8B17C24 -311.15 3.78 -10.01 0.03 0
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12875 147411 2 SO3C6H13 AB3C6D13 -301.42 5.14 -10.86 0.18 0
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12876 147488 1 NO3C13H13 AB3C13D13 -86.25 6.79 -8.98 -0.55 0
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12877 147489 1 NO3C14H15 AB3C14D15 -96.2 6.82 -8.72 -0.42 0
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12878 147491 1 O3N4C14H18 A3B4C14D18 -48.53 8.88 -9.13 -1.8 0
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12879 147509 1 O2C21H28 A2B21C28 -55.89 4.72 -8.5 0.16 0
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12880 147512 1 NO6H9C12 AB6C9D12 -213.11 9.61 -10.72 -2.08 0
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12881 147538 1 OBr2C4H6 AB2C4D6 -40.15 2.38 -10.61 -1.1 0
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12882 147539 1 NPCl2O4C8H8 ABC2D4E8F8 -106.72 6.11 -10.29 -1.42 0
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12883 147641 1 N2O2C7H10 A2B2C7D10 -78.6 3.7 -9.71 -0.77 0
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12884 147684 3 C5H6 A5B6 6.28 0.6 -8.59 0.16 0
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12885 147686 1 N3C9H11 A3B9C11 59.71 6.3 -9.4 -0.2 0
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12886 147769 1 OBr2N6C18H20 AB2C6D18E20 125.85 15.07 -8.29 -1.89 0
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12887 147770 1 ON6C18H19 AB6C18D19 143.03 3.03 0.0 0.0 1
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12888 147793 1 O3N4C10H12 A3B4C10D12 2.87 11.46 -9.71 -0.89 0
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12889 147794 1 O2N3C11H19 A2B3C11D19 -17.65 8.98 -9.14 -0.01 0
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12890 147801 2 NOC7H7 ABC7D7 -9.91 4.24 -9.11 -0.74 0
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12891 147838 1 SO3H16C20 AB3C16D20 -60.68 6.55 -8.46 -1.25 0
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12892 147846 1 SO3H16C20 AB3C16D20 -55.33 5.21 -8.42 -1.36 0
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12893 147878 2 NO2H4C7 AB2C4D7 8.5 7.33 -9.29 -1.83 0
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12894 147892 2 N2O3C7H8 A2B3C7D8 -131.27 4.45 -9.26 -1.61 0
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12895 147907 1 FH11C20 AB11C20 41.6 2.05 -8.88 -1.21 0
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12896 147908 1 SO2H12C16 AB2C12D16 -28.81 3.61 -8.68 -1.03 0
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12897 147912 1 F2O4N8C37H42 A2B4C8D37E42 -112.77 5.07 -8.05 -0.74 0
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12898 147983 1 NH19C22 AB19C22 129.53 1.45 -8.91 -0.4 0
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12899 147986 1 ON2C10H16 AB2C10D16 -34.92 3.91 -7.8 0.41 0
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12900 147988 1 NH23C24 AB23C24 111.34 1.64 -8.82 -0.42 0
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12901 148014 1 O8H14C17 A8B14C17 -264.32 9.57 -9.89 -1.53 0
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12902 148040 1 PN3O7C11H14 AB3C7D11E14 -321.88 3.86 -9.18 -0.59 0
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12903 148083 1 NO10H23C30 AB10C23D30 -329.0 8.6 -8.79 -2.15 0
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12904 148088 2 N2O3C10H14 A2B3C10D14 -170.41 3.3 -9.42 -2.05 0
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12905 148119 1 N2C5H12 A2B5C12 -12.1 0.3 -8.8 2.87 0
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12906 148120 2 O2N3H14C18 A2B3C14D18 -6.48 7.19 -8.32 -0.84 0
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12907 148162 1 N2O5C22H22 A2B5C22D22 -131.3 3.41 -8.6 -0.19 0
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12908 148204 1 SN3O8C37H71 AB3C8D37E71 -457.06 1.59 -8.93 -0.82 0
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12909 148244 1 N3O11C41H47 A3B11C41D47 -360.22 13.55 -8.87 -1.86 0
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12910 148250 4 NOC2H2 ABC2D2 -101.1 5.5 -9.58 -1.16 0
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12911 148262 1 NO4H20C21 AB4C20D21 -80.07 1.06 0.0 0.0 1
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12912 148263 1 NO5H20C21 AB5C20D21 -108.0 2.15 0.0 0.0 1
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12913 148277 1 OCl3N3C18H28 AB3C3D18E28 -121.88 2.29 -9.27 -0.99 0
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12914 148313 4 OC4H5 AB4C5 -185.81 4.93 -9.56 -0.54 0
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12915 148319 1 NO4C26H27 AB4C26D27 -98.06 2.53 -8.91 -0.83 0
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12916 148327 1 OSN3C13H13 ABC3D13E13 30.29 3.06 -8.99 -0.78 0
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12917 148370 2 H5C9 A5B9 118.4 0.02 -8.48 -1.72 0
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12918 148371 2 ON2C4H8 AB2C4D8 -6.89 0.0 -9.59 0.01 0
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12919 148372 1 ON4C10H12 AB4C10D12 40.18 4.04 -8.72 -0.48 0
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12920 148373 1 SF2N3O3H11C14 AB2C3D3E11F14 -74.96 5.71 -9.32 -1.9 0
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12921 148374 1 BrO3S3N6C14H17 AB3C3D6E14F17 -8.64 4.74 -8.12 -1.26 0
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12922 148401 2 NC2H5 AB2C5 13.49 1.32 -9.46 0.99 0
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12923 148412 1 ClSN3O3C20H20 ABC3D3E20F20 -51.58 3.45 -8.43 -0.83 0
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12924 148413 8 H2C3 A2B3 73.39 0.0 -7.65 -1.27 0
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12925 148428 1 SN2O2C11H16 AB2C2D11E16 -85.43 5.32 -9.21 -0.64 0
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12926 148453 1 SBr4O6H8C19 AB4C6D8E19 -140.66 6.68 -9.47 -1.24 0
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12927 148457 1 Cl2O4N5C25H35 A2B4C5D25E35 -167.22 6.95 -8.72 -0.18 0
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12928 148467 1 NO6C15H15 AB6C15D15 -162.37 2.29 -9.4 -1.74 0
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12930 148510 1 SN3O3C11H11 AB3C3D11E11 -64.54 8.36 -8.58 -0.49 0
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12931 218645 1 FCl2N2O3C23H31 AB2C2D3E23F31 -190.8 4.2 -8.98 -0.85 0
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12932 218720 2 NOC9H15 ABC9D15 -96.79 4.64 -8.14 0.24 0
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12933 218722 2 NOC10H17 ABC10D17 -112.39 2.76 -8.59 0.18 0
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12934 218736 1 ClN2S2O4C9H13 AB2C2D4E9F13 -137.38 2.63 -9.35 -1.48 0
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12935 218824 2 BrClOSN2C12H19 ABCDE2F12G19 -71.83 6.66 -8.56 -1.3 0
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12936 218900 1 OSCl2N2C15H20 ABC2D2E15F20 -70.03 4.04 -9.07 -0.73 0
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12937 218910 1 OSCl2N2C17H22 ABC2D2E17F22 -45.54 2.9 -9.1 -0.96 0
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12938 218912 1 OSN2C17H22 ABC2D17E22 -12.1 4.11 -8.6 -0.51 0
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12939 218919 1 OSN2F3C18H21 ABC2D3E18F21 -158.58 2.48 -8.66 -1.33 0
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12940 218920 1 OSCl2N2C18H24 ABC2D2E18F24 -55.47 4.69 -8.8 -0.97 0
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12941 218931 1 NPSO3C13H22 ABCD3E13F22 -176.38 2.41 -8.2 -0.1 0
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12942 218981 1 NO3C18H29 AB3C18D29 -132.55 2.33 -8.41 0.19 0
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12943 218982 1 ClNO2C17H26 ABC2D17E26 -110.37 5.92 -8.89 0.31 0
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12944 218983 1 NO2C17H25 AB2C17D25 -70.81 2.69 -8.86 0.28 0
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12946 219013 1 SO2N3H17C19 AB2C3D17E19 -0.13 3.46 -8.84 -0.99 0
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12947 219014 1 OSCl2N2H10C14 ABC2D2E10F14 18.14 1.96 -9.46 -0.85 0
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12948 219015 2 O2N3C10H11 A2B3C10D11 -76.26 2.84 -8.55 -0.65 0
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12949 219070 1 N2F6O7H12C19 A2B6C7D12E19 -486.78 5.88 -10.02 -1.86 0
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12950 219072 1 FN2O2C15H19 AB2C2D15E19 -103.46 4.44 -8.74 -0.64 0
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12951 219073 1 SH3N3O3C4 AB3C3D3E4 -5.3 3.19 -10.11 -2.13 0
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12952 219074 1 PO3C7H13 AB3C7D13 -161.14 3.79 -9.82 0.99 0
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12953 219079 1 Cl2O6N9C45H57 A2B6C9D45E57 -241.85 7.9 -8.75 -0.73 0
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12954 219080 1 O3N4C37H38 A3B4C37D38 -4.35 3.24 -8.71 -0.76 0
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12955 219092 1 FON2H21C25 ABC2D21E25 8.89 3.0 -9.19 -1.09 0
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12956 219111 1 ClSN3O3C13H18 ABC3D3E13F18 -105.82 6.61 -9.79 -0.85 0
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12957 219112 1 BrNO3C16H26 ABC3D16E26 -123.48 16.21 -7.74 -0.98 0
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12958 219114 1 NO3C29H45 AB3C29D45 -146.95 3.87 -8.41 1.2 0
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12959 219119 1 NC19H33 AB19C33 -42.1 1.85 -8.61 1.36 0
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12960 219120 1 NOC19H25 ABC19D25 -21.35 1.41 -9.26 -0.05 0
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12961 219162 1 NOC13H17 ABC13D17 -18.7 4.27 -9.32 -0.45 0
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12962 219188 1 ON2C16H34 AB2C16D34 -65.19 4.35 -9.11 0.62 0
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12963 219189 1 Cl2O3C13H14 A2B3C13D14 -128.48 2.93 -9.49 -0.91 0
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12964 219190 1 I2O3H12C16 A2B3C12D16 -38.84 3.77 -9.52 -1.6 0
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12965 219211 1 N2O5H12C15 A2B5C12D15 -166.2 3.75 -9.47 -1.15 0
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12966 219213 1 O4C9H16 A4B9C16 -207.21 6.08 -11.04 0.38 0
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12967 219214 2 SO2H7C8 AB2C7D8 -130.66 3.89 -9.07 -1.62 0
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12968 219297 1 NO2C22H25 AB2C22D25 -34.59 2.4 -8.78 -0.63 0
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12969 219298 1 N2C5O5H8 A2B5C5D8 -131.27 4.62 -10.95 -1.24 0
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12970 219311 1 NO2C10H19 AB2C10D19 -101.85 2.3 -8.88 2.28 0
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12971 219314 2 OC5H10 AB5C10 -131.99 4.87 -10.57 0.8 0
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12972 219316 2 OC7H14 AB7C14 -156.87 2.16 -10.74 0.73 0