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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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41753 8147033 1 ClFON3H17C19 ABCD3E17F19 -7.83 5.93 -9.5 -0.95 1
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41754 8147034 1 FOSN3H21C23 ABCD3E21F23 34.44 7.72 0.0 0.0 1
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41755 8147036 1 FSN3O3C20H21 ABC3D3E20F21 -82.06 17.05 0.0 0.0 1
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41756 8147038 1 FSO2N3H19C21 ABC2D3E19F21 10.55 8.58 0.0 0.0 0
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41757 8147041 1 FO2N3H18C21 AB2C3D18E21 -2.25 9.15 -8.99 -0.93 0
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41758 8147043 1 ON3C21H25 AB3C21D25 -0.97 7.07 -9.14 -0.53 1
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41759 8147044 1 ON3C21H26 AB3C21D26 15.18 9.18 0.0 0.0 0
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41760 8147046 1 ClSN3O3H14C17 ABC3D3E14F17 -39.29 4.97 -9.17 -1.39 1
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41761 8147049 1 OSN3C23H30 ABC3D23E30 -11.09 8.01 0.0 0.0 0
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41762 8147050 1 OSN3C23H29 ABC3D23E29 -24.28 3.29 -8.56 -0.81 0
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41763 8147053 1 SN2O3C19H20 AB2C3D19E20 -99.06 7.71 -8.6 -0.53 1
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41764 8147054 1 OSN3C25H28 ABC3D25E28 34.65 9.49 0.0 0.0 0
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41765 8147055 1 OSN3C25H27 ABC3D25E27 21.39 4.04 -8.7 -0.94 0
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41766 8147056 1 SO2N3H21C23 AB2C3D21E23 24.86 7.7 -9.18 -1.16 0
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41767 8147058 1 OSN3C22H27 ABC3D22E27 -11.05 3.66 -8.51 -0.85 0
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41768 8147059 1 ClFSO4H12C19 ABCD4E12F19 -132.3 5.96 -9.57 -1.38 1
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41769 8147060 1 OSN3C22H28 ABC3D22E28 3.8 7.95 0.0 0.0 0
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41770 8147062 1 ClSF2O4H11C19 ABC2D4E11F19 -173.4 5.5 -9.68 -1.66 1
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41771 8147063 1 ClON3C21H25 ABC3D21E25 5.83 9.41 0.0 0.0 0
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41772 8147083 1 ON3C22H27 AB3C22D27 -6.96 7.23 -8.95 -0.37 1
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41773 8147087 1 SN3O3C22H28 AB3C3D22E28 -91.71 18.24 0.0 0.0 0
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41774 8147088 1 SN3O3C22H27 AB3C3D22E27 -102.67 5.51 -9.02 -1.3 1
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41775 8147092 1 SO2N3C23H26 AB2C3D23E26 5.91 9.33 0.0 0.0 0
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41776 8147098 1 O2N3C23H25 A2B3C23D25 -3.37 7.67 -9.0 -1.1 1
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41777 8147101 1 SN3O3C23H28 AB3C3D23E28 -59.51 9.55 0.0 0.0 0
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41778 8147102 1 SN3O3C23H27 AB3C3D23E27 -72.22 4.97 -8.23 -0.83 0
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41779 8147103 2 NOC11H11 ABC11D11 -3.4 7.32 -8.96 -0.51 0
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41780 8147105 1 O5C20H22 A5B20C22 -143.3 2.9 -8.43 -0.72 0
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41781 8147106 1 ClN2O3C14H15 AB2C3D14E15 -64.69 6.09 -8.55 -0.51 1
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41782 8147107 1 ClN3O3C22H25 AB3C3D22E25 -58.5 10.0 0.0 0.0 0
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41783 8147108 1 ClN3O3C22H24 AB3C3D22E24 -75.65 6.7 -8.32 -0.83 0
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41784 8147109 1 N2S2O3C16H16 A2B2C3D16E16 -71.33 4.26 -8.92 -0.96 0
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41785 8147110 1 SN3O3C17H17 AB3C3D17E17 -55.42 2.39 -8.89 -1.12 0
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41786 8147111 1 SN3O5C17H19 AB3C5D17E19 -83.57 7.13 -9.27 -1.77 1
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41787 8147112 1 N3O3C23H28 A3B3C23D28 -51.58 10.67 0.0 0.0 1
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41788 8147114 1 N3O3C23H28 A3B3C23D28 -51.88 10.75 0.0 0.0 0
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41789 8147115 1 N3O3C23H27 A3B3C23D27 -72.32 3.26 -8.35 -0.58 0
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41790 8147116 1 N2O2S2H16C17 A2B2C2D16E17 8.79 2.91 -8.98 -1.24 0
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41791 8147117 2 NOSC10H10 ABCD10E10 -2.41 1.38 -8.85 -0.76 1
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41792 8147118 1 O2N5C24H24 A2B5C24D24 68.77 6.97 0.0 0.0 0
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41793 8147119 1 O2N5H23C24 A2B5C23D24 53.82 7.92 -8.9 -0.84 0
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41794 8147120 1 NO4H19C24 AB4C19D24 -80.25 5.54 -9.18 -0.84 0
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41795 8147121 1 ClSO2N3H18C19 ABC2D3E18F19 -44.2 3.75 -8.88 -0.76 1
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41796 8147122 1 SO3N5C20H26 AB3C5D20E26 -44.79 8.33 0.0 0.0 0
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41797 8147123 1 SO3N5C20H25 AB3C5D20E25 -57.59 10.18 -9.2 -0.6 0
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41798 8147124 1 OSCl2N3H9C14 ABC2D3E9F14 23.81 2.66 -9.04 -1.56 0
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41799 8147125 1 SF2O2N3H15C19 AB2C2D3E15F19 -105.11 3.8 -8.89 -1.2 1
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41800 8147126 1 SO3N5C20H26 AB3C5D20E26 -42.44 10.68 0.0 0.0 0
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41801 8147127 1 SO3N5C20H25 AB3C5D20E25 -58.07 9.59 -9.16 -0.56 0
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41802 8147128 1 SF2O2N3H15C19 AB2C2D3E15F19 -110.53 4.62 -8.49 -1.49 0
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41803 8147129 1 N4O6H14C17 A4B6C14D17 -45.28 4.93 -9.03 -2.26 -1
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41804 8147130 1 N2O4H21C23 A2B4C21D23 -28.69 4.84 0.0 0.0 0
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41805 8147132 1 SN2O5C21H26 AB2C5D21E26 -173.57 8.55 -9.1 -0.64 0
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41806 8147134 1 ON3C23H29 AB3C23D29 -12.05 6.95 -9.15 -0.55 1
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41807 8147136 1 ON3C23H30 AB3C23D30 6.19 8.67 0.0 0.0 0
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41808 8147137 1 ON3C23H29 AB3C23D29 -8.27 6.51 -8.95 -0.75 0
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41809 8147138 1 SN2O5H18C21 AB2C5D18E21 -118.19 8.02 -8.78 -0.66 0
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41810 8147145 1 N2O7H18C21 A2B7C18D21 -149.94 6.84 -9.6 -2.03 0
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41811 8147147 1 N3O3C25H33 A3B3C25D33 -84.64 8.25 -8.41 -0.46 1
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41812 8147149 1 N3O3C25H34 A3B3C25D34 -66.85 8.0 0.0 0.0 0
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41813 8147151 1 N3O3F4C17H17 A3B3C4D17E17 -279.57 5.53 -9.62 -1.06 1
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41814 8147152 1 ON3C24H32 AB3C24D32 -5.04 10.95 0.0 0.0 0
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41815 8147153 1 ON3C24H31 AB3C24D31 -18.29 7.73 -9.06 -0.47 0
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41816 8147154 1 N3O3F4C17H17 A3B3C4D17E17 -279.45 5.67 -9.6 -1.03 1
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41817 8147155 1 ON3C24H32 AB3C24D32 -0.53 9.2 0.0 0.0 1
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41818 8147158 1 ON3C24H32 AB3C24D32 -0.82 5.97 0.0 0.0 0
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41819 8147161 1 ON3C24H31 AB3C24D31 -17.8 6.52 -9.14 -0.55 1
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41820 8147166 1 OSN3C24H26 ABC3D24E26 54.31 8.79 0.0 0.0 0
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41821 8147170 1 BrFNOSH13C15 ABCDEF13G15 -53.83 1.98 -8.84 -0.84 0
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41822 8147176 1 OSN3C24H25 ABC3D24E25 37.86 7.79 -9.15 -0.54 1
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41823 8147180 1 NO7C19H28 AB7C19D28 -256.24 3.77 0.0 0.0 0
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41824 8147186 1 N4O5C18H24 A4B5C18D24 -130.52 7.88 -9.85 -1.48 0
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41825 8147192 1 OSN3C25H27 ABC3D25E27 36.49 8.03 -9.18 -0.64 0
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41826 8147195 1 S2N3O3H19C20 A2B3C3D19E20 -54.23 1.94 -9.17 -1.3 0
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41827 8147197 2 ON2C11H13 AB2C11D13 -16.87 5.01 -8.67 -0.55 0
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41828 8147198 1 S2N3O3H19C20 A2B3C3D19E20 -49.76 3.98 -9.36 -1.45 0
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41829 8147200 1 SO2N4C23H28 AB2C4D23E28 -29.32 3.52 -8.49 -0.82 0
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41830 8147203 1 O2N4C23H28 A2B4C23D28 -21.25 6.06 -8.58 -0.54 0
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41831 8147207 1 O3N4C24H26 A3B4C24D26 -23.99 10.09 -8.67 -0.92 0
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41832 8147208 1 F2O8H16C19 A2B8C16D19 -376.56 1.53 -9.79 -1.35 1
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41833 8147210 1 OSN3C23H24 ABC3D23E24 59.33 8.97 0.0 0.0 0
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41834 8147212 1 NSO2H13C18 ABC2D13E18 9.62 2.44 -8.73 -1.13 1
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41835 8147213 1 OSN3C23H24 ABC3D23E24 59.46 8.62 0.0 0.0 0
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41836 8147219 1 OSN3C24H25 ABC3D24E25 36.85 7.69 -9.11 -0.56 1
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41837 8147220 1 OSN3C24H26 ABC3D24E26 52.92 9.28 0.0 0.0 0
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41838 8147221 1 OSN3C24H25 ABC3D24E25 34.27 6.56 -9.13 -0.54 0
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41839 8147228 1 OSN3C24H25 ABC3D24E25 35.62 6.27 -9.13 -0.54 0
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41840 8147229 1 NCl2O2H11C17 AB2C2D11E17 7.16 4.21 -9.51 -1.38 1
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41841 8147230 1 OSN3C24H32 ABC3D24E32 -5.01 8.23 0.0 0.0 1
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41842 8147244 1 ON3C24H32 AB3C24D32 -0.19 7.97 0.0 0.0 0
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41843 8147262 1 BrFO3H12C16 ABC3D12E16 -93.79 2.32 -8.9 -0.96 0
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41844 8147269 1 NO3C21H21 AB3C21D21 -31.15 5.25 -8.9 -1.18 0
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41845 8147275 1 SN4O5H14C17 AB4C5D14E17 -19.55 4.27 -8.89 -1.99 0
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41846 8147277 1 NOC22H25 ABC22D25 -40.92 3.64 -8.99 -0.65 0
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41847 8147283 1 SN3O4H19C21 AB3C4D19E21 -109.95 5.07 -9.1 -1.11 0
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41848 8147305 1 O3H16C22 A3B16C22 -28.52 2.05 -9.27 -0.83 0
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41849 8147310 1 NO5H21C25 AB5C21D25 -108.5 4.61 -8.49 -1.26 1
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41850 8147321 1 ON3S3C20H20 AB3C3D20E20 53.31 6.79 0.0 0.0 0
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41851 8147322 1 ON3S3H19C20 AB3C3D19E20 41.58 2.39 -8.48 -0.99 1
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41852 8147330 1 O2S2N3H18C19 A2B2C3D18E19 32.8 7.58 0.0 0.0 0