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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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137912 52283098 1 SO2N4C18H26 AB2C4D18E26 -59.99 5.27 -8.9 -0.47 1
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137913 52283540 1 FO3N6C22H22 AB3C6D22E22 -75.03 3.42 0.0 0.0 0
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137914 52283593 1 SN3O3C19H23 AB3C3D19E23 -90.17 8.83 -8.27 0.13 1
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137915 52283614 1 OSN2C16H23 ABC2D16E23 14.97 4.02 0.0 0.0 0
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137916 52283615 1 OSN2C16H22 ABC2D16E22 -1.26 1.7 -8.79 -0.24 1
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137917 52283735 1 SN4O4C22H31 AB4C4D22E31 -114.22 5.96 0.0 0.0 0
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137918 52283945 1 FO2N3C21H28 AB2C3D21E28 -143.25 5.42 -8.49 0.0 0
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137919 52283946 1 FO2N3C21H28 AB2C3D21E28 -143.1 5.36 -8.51 -0.01 0
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137920 52283947 1 FN3O3C23H30 AB3C3D23E30 -139.34 4.18 -8.91 -0.08 0
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137921 52283948 1 FN3O3C23H30 AB3C3D23E30 -138.3 3.94 -8.83 -0.04 0
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137922 52283949 1 NO3C16H17 AB3C16D17 -72.09 2.38 -9.07 -1.04 0
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137923 52283950 1 NO3C16H17 AB3C16D17 -72.76 2.39 -8.99 -0.98 1
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137924 52284027 1 ClSN2C16H20 ABC2D16E20 74.97 5.18 0.0 0.0 1
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137925 52284248 1 O2N6C24H31 A2B6C24D31 0.81 3.58 0.0 0.0 1
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137926 52284276 1 SN2O3C19H27 AB2C3D19E27 -75.25 7.11 0.0 0.0 0
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137927 52284678 1 N3O5C22H29 A3B5C22D29 -175.81 5.33 -8.48 0.01 0
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137928 52284970 1 SN2O6C21H28 AB2C6D21E28 -246.09 6.39 -8.98 0.04 0
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137929 52285593 1 O3N4C22H32 A3B4C22D32 -127.07 5.58 -9.21 -0.35 0
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137930 52285594 1 O3N4C22H32 A3B4C22D32 -125.83 4.65 -9.05 -0.4 0
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137931 52285595 1 SN3O3C22H23 AB3C3D22E23 -56.07 5.64 -8.48 -0.66 0
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137932 52285831 1 F2N2O2S2C15H18 A2B2C2D2E15F18 -124.65 9.59 -8.99 -0.69 0
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137933 52286595 1 ON5H21C22 AB5C21D22 83.05 3.39 -9.21 -0.27 0
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137934 52286975 1 NSO2C14H21 ABC2D14E21 -79.73 4.41 -9.47 0.07 0
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137935 52287478 1 O2N3C22H27 A2B3C22D27 -50.73 5.86 -8.55 -0.02 0
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137936 52287479 1 O2N3C23H31 A2B3C23D31 -67.36 8.08 -8.77 0.0 1
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137937 52287480 1 ClN2O4C22H22 AB2C4D22E22 -66.0 9.05 0.0 0.0 0
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137938 52287481 1 ClN2O4H21C22 AB2C4D21E22 -70.31 6.61 -8.66 -1.12 0
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137939 52288454 1 O2N4C21H22 A2B4C21D22 2.71 4.81 -9.26 -0.6 0
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137940 52288563 1 ClO2N4C23H25 AB2C4D23E25 -33.85 4.83 -8.96 -0.52 0
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137941 52289039 1 O2F3N5C18H22 A2B3C5D18E22 -166.92 4.13 -8.97 -0.24 0
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137942 52289040 1 SN4O4C19H22 AB4C4D19E22 -106.42 11.86 -9.22 -0.73 0
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137943 52289087 1 FNO3C21H22 ABC3D21E22 -113.54 2.2 -9.05 -0.36 1
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137944 52289088 1 FSN2O3C21H28 ABC2D3E21F28 -130.61 4.07 0.0 0.0 0
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137945 52289162 1 FSO2N4C20H25 ABC2D4E20F25 -95.5 3.65 -8.54 -0.32 1
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137946 52289163 1 SF3N4O5C18H28 AB3C4D5E18F28 -250.43 10.18 0.0 0.0 0
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137947 52289495 1 SN2O3C17H24 AB2C3D17E24 -126.37 3.94 -8.94 -0.28 2
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137949 52289642 1 FSCl2N3O4C19H23 ABC2D3E4F19G23 -100.78 15.06 0.0 0.0 -1
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137950 52289643 1 FN2S2O5H16C23 AB2C2D5E16F23 -26.16 7.48 0.0 0.0 0
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137951 52289754 1 SO2N4C22H24 AB2C4D22E24 45.59 1.51 -9.14 -0.34 0
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137952 52290345 1 O3N4C22H26 A3B4C22D26 -95.03 5.78 -8.84 -0.41 0
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137953 52290934 1 FON7C17H20 ABC7D17E20 39.34 5.45 -9.58 -0.76 0
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137954 52290935 1 FON7C17H20 ABC7D17E20 36.79 5.7 -9.74 -0.52 0
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137955 52291043 1 O2N5C23H29 A2B5C23D29 -8.42 4.77 -8.64 -0.04 1
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137956 52291136 1 O2N4C21H31 A2B4C21D31 -34.54 3.11 0.0 0.0 1
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137957 52291543 1 OSN2C19H23 ABC2D19E23 17.22 4.18 0.0 0.0 0
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137958 52291544 1 OSN2C19H22 ABC2D19E22 -0.42 2.67 -8.5 -0.14 1
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137959 52291545 1 OSN2C19H23 ABC2D19E23 18.08 3.91 0.0 0.0 0
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137960 52291875 1 O3N4C27H28 A3B4C27D28 -19.69 3.19 -8.34 -0.28 0
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137961 52291927 2 NO2C9H11 AB2C9D11 -142.31 2.37 -9.14 -0.94 0
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137962 52292122 1 N2O2C23H26 A2B2C23D26 -11.89 2.2 -8.72 -0.42 0
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137963 52292357 2 N2O2C9H12 A2B2C9D12 -63.1 8.53 -8.89 -1.3 0
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137964 52292472 1 F3N3O4C21H28 A3B3C4D21E28 -306.55 4.67 -8.37 0.04 0
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137965 52292473 1 N2O6C27H30 A2B6C27D30 -131.47 4.87 -8.8 0.07 0
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137966 52292650 1 N3O5C23H35 A3B5C23D35 -231.8 3.01 -9.01 -0.09 0
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137967 52292672 1 FN3O4C24H28 AB3C4D24E28 -156.94 5.78 -8.45 -0.2 0
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137968 52293286 1 FO2N6C20H27 AB2C6D20E27 -70.74 2.17 -10.04 -0.52 1
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137969 52293380 1 SO2N3C22H32 AB2C3D22E32 -68.03 6.56 0.0 0.0 0
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137970 52293381 1 SO2N3C22H31 AB2C3D22E31 -83.65 4.85 -8.77 -0.27 0
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137971 52293382 1 SCl2N4O4C21H22 AB2C4D4E21F22 -105.72 7.09 -8.69 -0.84 1
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137972 52293530 1 O2N3C22H30 A2B3C22D30 -45.44 5.38 0.0 0.0 1
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137973 52293615 1 O2N3C25H40 A2B3C25D40 -96.79 6.67 0.0 0.0 0
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137974 52293716 1 FO2N3C20H26 AB2C3D20E26 -56.55 2.12 -9.06 -0.71 1
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137975 52293717 1 N3O3C23H30 A3B3C23D30 -46.18 4.9 0.0 0.0 0
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137976 52293920 1 O2S2F3N3C12H12 A2B2C3D3E12F12 -196.34 6.09 -9.28 -1.0 1
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137977 52293991 1 SO3N4C23H29 AB3C4D23E29 -41.98 8.03 0.0 0.0 0
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137978 52293992 1 N3O6C23H33 A3B6C23D33 -243.61 6.2 -8.69 -0.2 0
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137979 52293993 1 N3O6C23H33 A3B6C23D33 -246.16 4.93 -8.42 0.07 0
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137980 52294340 1 ON2C17H26 AB2C17D26 -47.32 2.8 -9.21 0.18 1
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137981 52294341 1 ON2C17H27 AB2C17D27 -33.59 3.26 0.0 0.0 0
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137982 52294342 1 ON2C17H26 AB2C17D26 -47.39 3.09 -9.2 0.19 1
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137983 52294400 1 N3O3C21H28 A3B3C21D28 -85.66 6.69 0.0 0.0 0
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137984 52294506 1 O2F3N5C15H20 A2B3C5D15E20 -183.34 7.76 -8.74 -0.5 0
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137985 52295055 1 ClOSN3H16C17 ABCD3E16F17 28.38 2.75 -9.04 -0.3 0
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137986 52295192 1 ON2C17H26 AB2C17D26 -51.41 1.92 -8.83 0.88 1
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137987 52296184 1 FON6C23H28 ABC6D23E28 39.96 5.81 0.0 0.0 0
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137988 52296351 1 N2O3C21H24 A2B3C21D24 -57.65 6.57 -8.98 -0.45 0
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137989 52296352 1 N2O3C21H24 A2B3C21D24 -63.27 4.28 -9.27 -0.49 1
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137990 52296353 1 SO4N6C19H27 AB4C6D19E27 -87.88 9.21 0.0 0.0 0
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137991 52296354 1 SN3O6C17H21 AB3C6D17E21 -221.25 7.81 -9.01 -0.71 0
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137992 52296355 1 SN3O6C17H21 AB3C6D17E21 -222.22 11.2 -9.12 -0.64 0
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137993 52296356 1 O3N4H18C20 A3B4C18D20 62.96 4.73 -8.98 -1.12 0
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137994 52297009 1 S2N3O3C16H17 A2B3C3D16E17 6.79 6.09 -8.87 -2.03 0
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137995 52297042 1 ION2C19H29 ABC2D19E29 -41.88 3.79 -8.48 -0.88 0
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137996 52297227 1 SO3N4C22H24 AB3C4D22E24 -46.33 6.37 -8.84 -0.81 -1
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137997 52297228 1 O4N5H22C23 A4B5C22D23 -32.39 3.78 0.0 0.0 0
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137998 52297296 1 NSO6C16H21 ABC6D16E21 -236.65 4.71 -9.56 -1.4 0
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137999 52297554 1 FO3N4C23H35 AB3C4D23E35 -186.98 4.0 -8.24 -0.05 0
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138000 52297728 2 NO2C11H14 AB2C11D14 -136.72 4.84 -9.05 -0.3 0
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138001 52297904 1 ClOSN2H17C18 ABCD2E17F18 12.94 4.62 -9.27 -1.12 1
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138002 52298157 1 BrSN2O4C18H24 ABC2D4E18F24 -102.58 6.66 0.0 0.0 0
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138003 52298555 1 NO4C19H25 AB4C19D25 -184.33 3.79 -8.65 -0.18 0
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138004 52298709 1 O3N5C20H21 A3B5C20D21 54.6 8.86 -9.11 -1.2 1
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138005 52299173 1 N2O2C20H31 A2B2C20D31 -55.02 2.87 0.0 0.0 0
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138006 52299174 2 NOC10H15 ABC10D15 -62.55 2.59 -9.03 0.4 1
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138007 52299175 1 N2O2C20H31 A2B2C20D31 -54.24 2.04 0.0 0.0 0
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138008 52299176 2 NOC10H15 ABC10D15 -60.48 2.57 -8.98 0.44 1
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138009 52299326 1 N2C16H21 A2B16C21 60.3 3.66 0.0 0.0 0
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138010 52299603 1 FNO2C17H18 ABC2D17E18 -88.91 4.65 -9.42 -0.08 0
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138011 52299819 1 O2N5C21H27 A2B5C21D27 -59.38 4.1 -8.77 -0.57 0
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138012 52299820 1 O2F3N3C22H24 A2B3C3D22E24 -202.57 6.06 -8.39 -0.67 0