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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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41954 8147913 1 OSN4C21H21 ABC4D21E21 57.89 10.31 0.0 0.0 0
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41955 8147914 1 OSN4H20C21 ABC4D20E21 42.66 7.41 -9.18 -0.81 0
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41956 8147922 1 Cl2N2O4H14C17 A2B2C4D14E17 -120.35 3.58 -9.3 -0.97 1
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41957 8147923 1 ClOSN4H20C21 ABCD4E20F21 50.44 6.65 0.0 0.0 0
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41958 8147929 1 SN3O3C23H23 AB3C3D23E23 -32.58 4.79 -8.66 -1.43 0
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41959 8147937 1 SN3O3H19C21 AB3C3D19E21 -28.54 4.16 -8.82 -1.49 0
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41960 8147941 1 SO2N4H20C23 AB2C4D20E23 37.57 8.53 -8.96 -1.04 0
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41961 8147942 1 SN3O3H21C22 AB3C3D21E22 -27.97 7.43 -8.62 -1.44 0
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41962 8147948 1 SN3O3C23H23 AB3C3D23E23 -32.35 4.55 -8.6 -1.56 0
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41963 8147950 1 SO2N5C22H33 AB2C5D22E33 -84.75 4.36 -8.7 -0.88 0
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41964 8147951 1 OSN3H21C22 ABC3D21E22 26.86 4.64 -8.75 -1.41 2
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41965 8147964 1 OSN4C18H28 ABC4D18E28 -15.73 14.26 -7.18 -0.46 0
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41966 8147970 1 OSN4C21H22 ABC4D21E22 38.57 8.6 -8.31 -1.27 0
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41967 8147975 1 SN3O3H15C18 AB3C3D15E18 -15.29 6.86 -8.83 -1.74 0
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41968 8147976 1 ClFOSN3H11C17 ABCDE3F11G17 1.45 4.46 -8.87 -1.58 0
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41969 8147980 1 OSF2N3H11C17 ABC2D3E11F17 -37.83 4.24 -8.96 -1.6 0
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41970 8147981 1 OSCl2N3H11C17 ABC2D3E11F17 41.14 3.35 -8.94 -1.77 0
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41971 8147984 1 OSN3C23H23 ABC3D23E23 41.86 6.01 -9.18 -0.58 0
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41972 8147985 1 SF2O2N3H13C18 AB2C2D3E13F18 -90.4 5.11 -8.93 -1.64 1
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41973 8147992 1 NOC14H22 ABC14D22 -17.61 1.4 0.0 0.0 0
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41974 8148013 1 OSN3H15C18 ABC3D15E18 45.84 4.45 -8.86 -1.51 1
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41975 8148014 1 ClSO2N3C20H23 ABC2D3E20F23 -31.14 8.67 0.0 0.0 0
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41976 8148015 1 ClSO2N3C20H22 ABC2D3E20F22 -44.67 5.38 -8.54 -0.78 1
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41977 8148018 1 SN2O4C19H27 AB2C4D19E27 -89.61 7.18 0.0 0.0 1
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41978 8148021 1 ClSO2N3C19H21 ABC2D3E19F21 -16.97 6.58 0.0 0.0 0
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41979 8148022 1 ClSO2N3C19H20 ABC2D3E19F20 -32.67 0.3 -8.54 -0.87 0
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41980 8148023 1 SN3O3H19C20 AB3C3D19E20 -28.81 3.18 -8.67 -1.52 0
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41981 8148040 1 BrFOSN3H11C17 ABCDE3F11G17 12.98 3.96 -8.96 -1.62 0
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41982 8148050 1 SO2N3H17C20 AB2C3D17E20 32.4 4.55 -8.74 -1.42 0
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41983 8148054 1 ClSN3O3H18C20 ABC3D3E18F20 -35.71 2.89 -8.78 -1.66 0
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41984 8148055 1 SN3O3C21H21 AB3C3D21E21 -33.47 3.56 -8.93 -1.48 0
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41985 8148056 1 SO2N3H15C20 AB2C3D15E20 77.13 4.89 -8.76 -1.36 0
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41986 8148059 1 SF2N3O3H15C19 AB2C3D3E15F19 -128.49 4.07 -8.89 -1.63 0
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41987 8148061 1 SN3O4H17C20 AB3C4D17E20 -55.01 5.91 -8.82 -1.49 1
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41988 8148063 1 N3O3C19H28 A3B3C19D28 -119.07 9.67 0.0 0.0 0
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41989 8148065 1 SN3O4H15C19 AB3C4D15E19 -45.61 4.74 -8.88 -1.58 0
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41990 8148067 1 ClOS2N3H18C20 ABC2D3E18F20 38.29 4.9 -8.64 -1.04 1
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41991 8148068 1 N3O3C19H28 A3B3C19D28 -114.63 6.88 0.0 0.0 0
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41992 8148069 1 N3O3C19H27 A3B3C19D27 -128.41 3.4 -9.13 -0.43 0
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41993 8148073 1 SN3O3C23H29 AB3C3D23E29 -83.07 2.76 -8.44 -0.76 1
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41994 8148074 1 SN3O3C23H30 AB3C3D23E30 -68.11 8.23 0.0 0.0 1
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41995 8148078 1 SN3O3C23H30 AB3C3D23E30 -68.72 8.05 0.0 0.0 0
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41996 8148084 1 SN3O3C23H29 AB3C3D23E29 -88.72 3.44 -8.49 -0.72 0
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41997 8148086 1 SN3O3C23H29 AB3C3D23E29 -88.58 3.53 -8.33 -0.51 1
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41998 8148087 1 SN3O3C23H30 AB3C3D23E30 -76.4 14.39 0.0 0.0 0
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41999 8148088 1 SN3O3C23H29 AB3C3D23E29 -88.81 3.12 -8.49 -0.72 1
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42000 8148089 1 SN3O3C23H32 AB3C3D23E32 -81.36 5.69 0.0 0.0 0
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42001 8148090 1 SN3O3C23H31 AB3C3D23E31 -97.31 4.16 -8.52 -0.68 0
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42002 8148091 2 NO2C9H12 AB2C9D12 -166.71 6.07 -9.0 -0.12 0
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42003 8148098 1 SO2N3C24H29 AB2C3D24E29 -30.52 4.28 -8.54 -0.78 0
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42004 8148129 1 OSN3C22H27 ABC3D22E27 -13.18 3.86 -8.5 -0.84 0
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42005 8148130 1 N2O3C17H18 A2B3C17D18 -33.11 5.6 -8.42 -0.52 1
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42006 8148131 1 OSN3C22H28 ABC3D22E28 1.98 7.72 0.0 0.0 0
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42007 8148132 1 OSN3C22H27 ABC3D22E27 -12.06 3.12 -8.51 -0.84 0
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42008 8148136 1 OS2N3C22H27 AB2C3D22E27 -6.39 3.51 -8.6 -0.85 1
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42009 8148137 1 OS2N3C22H28 AB2C3D22E28 8.83 5.38 0.0 0.0 0
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42010 8148139 1 N3O4C19H27 A3B4C19D27 -199.06 3.89 -9.86 -0.21 0
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42011 8148141 1 OS2N3C22H27 AB2C3D22E27 -7.92 4.33 -8.54 -0.78 0
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42012 8148146 1 SN3O3C23H27 AB3C3D23E27 -78.13 2.42 -8.72 -1.0 1
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42013 8148147 1 SN3O3C23H28 AB3C3D23E28 -61.22 5.93 0.0 0.0 0
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42014 8148148 1 SN3O3C23H27 AB3C3D23E27 -79.45 3.18 -8.68 -0.96 1
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42015 8148149 1 SN3O3C23H28 AB3C3D23E28 -60.21 5.91 0.0 0.0 0
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42016 8148150 1 SN3O3C23H27 AB3C3D23E27 -78.8 2.93 -8.71 -0.98 1
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42017 8148154 1 ClSN3O3C20H23 ABC3D3E20F23 -84.57 11.28 0.0 0.0 0
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42018 8148155 1 ClSN3O3C20H22 ABC3D3E20F22 -98.0 4.31 -9.04 -1.33 0
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42019 8148156 1 N3O4C19H27 A3B4C19D27 -195.74 2.46 -9.89 0.16 1
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42020 8148157 1 ClSN3O3C20H23 ABC3D3E20F23 -80.3 18.43 0.0 0.0 1
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42021 8148159 1 ClOS2N3H19C20 ABC2D3E19F20 55.22 6.28 0.0 0.0 0
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42022 8148162 1 ClOS2N3H18C20 ABC2D3E18F20 38.77 5.22 -8.66 -1.06 1
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42023 8148173 1 FOSN3C21H25 ABCD3E21F25 -36.08 6.16 0.0 0.0 0
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42024 8148180 1 FOS2N3H18C20 ABC2D3E18F20 1.66 4.34 -8.69 -1.09 0
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42025 8148184 1 FOS2N3H18C20 ABC2D3E18F20 1.47 4.01 -8.72 -1.13 0
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42026 8148190 1 FOSN3C21H26 ABCD3E21F26 -61.25 3.07 -8.67 -0.86 1
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42027 8148191 1 NO2C19H32 AB2C19D32 -87.05 1.75 0.0 0.0 0
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42028 8148192 1 NO2C19H31 AB2C19D31 -112.9 2.34 -8.88 0.3 1
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42029 8148195 1 SN2O2C19H27 AB2C2D19E27 -21.1 15.91 0.0 0.0 0
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42030 8148196 1 SN2O2C19H26 AB2C2D19E26 -37.58 0.61 -8.36 -0.62 1
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42031 8148197 1 SO2N4C23H23 AB2C4D23E23 12.59 9.72 0.0 0.0 0
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42032 8148198 1 SO2N4H22C23 AB2C4D22E23 -2.95 2.48 -8.63 -1.1 1
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42033 8148203 1 SO2N4C17H25 AB2C4D17E25 -69.37 11.41 0.0 0.0 0
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42034 8148204 1 SO2N4C17H24 AB2C4D17E24 -83.76 2.3 -8.71 -0.99 0
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42035 8148206 1 SN2O2C19H26 AB2C2D19E26 -36.98 3.62 -8.39 -0.74 1
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42036 8148207 1 SO2N4C17H25 AB2C4D17E25 -74.34 15.08 0.0 0.0 0
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42037 8148208 1 SO2N4C17H24 AB2C4D17E24 -85.75 2.53 -8.7 -0.95 1
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42038 8148211 1 O2S2N4C16H19 A2B2C4D16E19 -19.37 17.55 0.0 0.0 0
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42039 8148212 2 OSN2C8H9 ABC2D8E9 -27.58 5.75 -8.68 -1.09 1
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42040 8148213 1 O2S2N4C16H19 A2B2C4D16E19 -17.87 17.34 0.0 0.0 0
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42041 8148214 2 OSN2C8H9 ABC2D8E9 -27.95 1.16 -8.78 -1.2 0
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42042 8148218 1 SN3O3C20H21 AB3C3D20E21 -85.36 3.85 -8.96 -0.38 1
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42043 8148219 1 SO2N3C21H26 AB2C3D21E26 -31.9 5.93 0.0 0.0 1
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42044 8148221 1 SO2N3C21H26 AB2C3D21E26 -30.61 5.92 0.0 0.0 0
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42045 8148222 1 SO2N3C21H25 AB2C3D21E25 -43.82 1.37 -8.66 -0.93 1
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42046 8148223 1 SO2N3C21H26 AB2C3D21E26 -30.97 6.93 0.0 0.0 0
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42047 8148224 1 SO2N3C21H25 AB2C3D21E25 -47.94 3.19 -8.62 -0.86 1
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42048 8148225 1 SO2N3C21H26 AB2C3D21E26 -30.65 6.04 0.0 0.0 1
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42049 8148227 1 O2S2N3C20H20 A2B2C3D20E20 25.13 9.01 0.0 0.0 0
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42050 8148228 1 O2S2N3H19C20 A2B2C3D19E20 10.7 4.79 -8.64 -1.03 1
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42051 8148229 1 O2S2N3C20H20 A2B2C3D20E20 24.95 9.31 0.0 0.0 1
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42052 8148231 1 SN3O3C18H26 AB3C3D18E26 -117.17 8.92 0.0 0.0 0
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42053 8148232 1 SN3O3C18H25 AB3C3D18E25 -132.36 3.18 -8.57 -0.81 1