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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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334147 127252699 1 N5O8C35H41 A5B8C35D41 -42.08 5.76 -8.1 -0.64 0
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334148 127252700 1 N6O6C31H34 A6B6C31D34 -108.98 4.97 -8.66 -1.04 0
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334149 127252701 1 SN6O6C28H34 AB6C6D28E34 -128.55 9.07 -8.59 -0.75 0
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334150 127252702 1 N2O7C23H24 A2B7C23D24 -204.8 5.07 -8.52 -0.57 0
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334151 127252703 1 ClN3O6C28H28 AB3C6D28E28 -171.17 6.65 -8.4 -0.48 0
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334152 127252704 1 ClNOC10H18 ABCD10E18 -107.6 3.55 -10.21 0.23 0
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334153 127252705 1 N2O2C21H22 A2B2C21D22 -32.36 4.89 -8.28 0.03 0
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334154 127252706 1 O9H24C29 A9B24C29 -246.57 6.54 -8.53 -1.28 0
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334155 127252707 1 ClN6O6H23C25 AB6C6D23E25 -94.46 9.07 -8.9 -0.78 0
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334156 127252708 1 N3O5H21C24 A3B5C21D24 -110.48 5.32 -8.2 -0.69 0
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334157 127252709 1 N2O5H20C22 A2B5C20D22 -132.38 5.66 -8.33 -1.3 0
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334158 127252710 1 N3O3H19C22 A3B3C19D22 -55.97 5.85 -8.25 -0.69 0
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334159 127252711 1 O8H14C27 A8B14C27 -182.15 4.91 -8.74 -1.38 0
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334160 127252712 1 NO6H13C17 AB6C13D17 -189.05 8.12 -8.66 -1.01 0
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334161 127252713 1 O6N7C35H41 A6B7C35D41 -90.86 4.45 -8.44 -0.75 0
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334162 127252714 1 O5N6H28C30 A5B6C28D30 9.38 6.61 -9.3 -1.32 0
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334163 127252715 1 O5N7H19C21 A5B7C19D21 -46.89 2.63 -8.99 -1.1 0
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334164 127252716 1 N3O3C21H31 A3B3C21D31 -113.07 4.02 -8.74 0.1 0
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334165 127252717 1 N4O9C39H48 A4B9C39D48 -291.63 5.94 -8.62 -0.89 0
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334166 127252718 1 ClNBr2O6H18C22 ABC2D6E18F22 -172.36 5.9 -8.89 -0.93 0
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334167 127252719 1 N5O6C30H37 A5B6C30D37 -109.77 3.0 -8.34 -1.07 0
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334168 127252720 1 SN6O6C36H42 AB6C6D36E42 -102.21 8.62 -8.46 -0.74 0
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334169 127252721 1 NO8H27C29 AB8C27D29 -228.82 6.64 -8.63 -1.09 0
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334170 127252722 1 ClN2F3O6H22C25 AB2C3D6E22F25 -319.23 7.43 -9.13 -0.89 0
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334171 127252723 1 N3O4H19C23 A3B4C19D23 -33.78 1.22 -8.35 -1.38 0
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334172 127252724 1 N3O7C24H29 A3B7C24D29 -233.83 8.36 -7.98 -0.35 0
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334173 127252725 1 NO4H21C22 AB4C21D22 -113.45 5.87 -8.79 -1.5 0
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334174 127252726 1 O5H20C21 A5B20C21 -143.43 4.87 -8.88 -1.44 0
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334175 127252727 1 SN2O6C22H22 AB2C6D22E22 -159.64 3.15 -8.48 -1.56 0
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334176 127252728 1 O8H22C27 A8B22C27 -210.13 6.95 -8.44 -1.31 0
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334177 127252729 1 N5O6C30H37 A5B6C30D37 -147.43 4.59 -8.56 -0.55 0
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334178 127252730 1 NO6H23C27 AB6C23D27 -130.41 0.98 -8.34 -1.56 0
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334179 127252731 1 N2O7C21H22 A2B7C21D22 -217.55 4.73 -8.71 -0.61 0
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334180 127252732 1 N2O6H22C29 A2B6C22D29 -93.42 5.95 -8.22 -1.25 0
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334181 127252733 1 N3O4C24H27 A3B4C24D27 -68.17 2.8 -8.17 -0.62 0
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334182 127252734 1 ClO4N5H16C20 AB4C5D16E20 -33.72 4.58 -10.04 -1.57 0
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334183 127252735 2 ON2C13H16 AB2C13D16 16.25 3.09 -8.24 -0.82 0
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334184 127252736 1 NO4H21C26 AB4C21D26 -62.94 3.47 -8.49 -1.52 0
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334185 127252737 1 N5O6C31H39 A5B6C31D39 -24.72 7.95 -8.41 -1.05 0
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334186 127252738 1 S2N5O7C31H37 A2B5C7D31E37 -194.64 2.2 -8.53 -0.77 0
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334187 127252739 1 ClN5O7H24C25 AB5C7D24E25 -112.93 6.39 -8.38 -2.09 0
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334188 127252740 1 N4O5H16C17 A4B5C16D17 -165.38 4.59 -8.76 -0.85 0
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334189 127252741 1 N3O6H21C25 A3B6C21D25 -144.72 4.79 -8.4 -1.74 0
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334190 127252742 1 N2O5H18C26 A2B5C18D26 -108.57 4.59 -9.05 -1.72 0
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334191 127252743 1 N2O6C17H20 A2B6C17D20 -218.82 7.14 -8.97 -0.53 0
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334192 127252744 1 O2N4C27H34 A2B4C27D34 53.76 5.69 -8.6 -0.54 0
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334193 127252745 2 ON3C10H13 AB3C10D13 -10.09 5.98 -9.17 -0.51 0
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334194 127252746 1 NO6H17C26 AB6C17D26 -126.6 7.38 -9.07 -1.49 0
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334195 127252747 1 N3O7C29H33 A3B7C29D33 -233.52 7.46 -8.84 -0.48 0
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334196 127252748 1 NO8C28H31 AB8C28D31 -247.1 4.13 -8.58 -0.75 0
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334197 127252749 1 ClN2O7H23C25 AB2C7D23E25 -232.03 3.43 -8.74 -0.96 0
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334198 127252750 2 NO2C14H14 AB2C14D14 -86.8 3.26 -8.35 -0.46 0
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334199 127252751 1 NO9H25C28 AB9C25D28 -271.76 3.78 -8.68 -1.47 0
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334200 127252752 1 SN4O8C39H44 AB4C8D39E44 -208.34 7.86 -8.43 -0.71 0
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334201 127252753 1 ClN4O7H23C27 AB4C7D23E27 -143.59 4.16 -9.01 -1.6 0
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334202 127252754 1 ClN2O7C24H27 AB2C7D24E27 -166.85 15.47 -7.72 -0.8 1
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334203 127252755 1 N2O7C24H27 A2B7C24D27 -175.56 7.47 0.0 0.0 0
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334204 127252756 1 N2O6C25H28 A2B6C25D28 -175.48 6.14 -8.41 -1.64 0
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334205 127252757 1 ClN3O5H24C25 AB3C5D24E25 -122.69 3.39 -8.78 -0.5 0
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334206 127252758 1 SO4N5H21C24 AB4C5D21E24 -73.55 4.06 -9.25 -1.22 0
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334207 127252759 1 ClN5O8H32C34 AB5C8D32E34 -215.43 11.25 -8.74 -1.04 0
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334208 127252760 1 NO7C19H23 AB7C19D23 -249.72 5.68 -8.61 -0.45 0
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334209 127252761 1 SN2O4H18C20 AB2C4D18E20 -85.19 2.64 -8.77 -1.38 0
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334210 127252762 1 N2O5C16H20 A2B5C16D20 -192.61 4.37 -8.85 -0.79 0
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334211 127252763 1 N5O6C31H33 A5B6C31D33 -131.22 5.13 -8.61 -0.68 0
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334212 127252764 1 F2N2O5H18C20 A2B2C5D18E20 -233.15 6.35 -8.81 -0.9 0
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334213 127252765 1 NO7H23C29 AB7C23D29 -167.53 3.78 -8.75 -1.25 0
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334214 127252766 1 N3O4C24H37 A3B4C24D37 -160.12 5.36 -8.74 0.09 0
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334215 127252767 1 ClN3O5C28H30 AB3C5D28E30 -136.26 7.78 -8.77 -0.39 0
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334216 127252768 1 ClN3O5C22H24 AB3C5D22E24 -127.35 2.88 -9.01 -0.64 0
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334217 127252769 1 O4N5H17C25 A4B5C17D25 -47.1 7.62 -8.86 -1.25 0
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334218 127252770 1 ClN2O6C28H33 AB2C6D28E33 -241.03 6.61 -8.91 -0.57 0
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334219 127252771 1 N3O4C20H23 A3B4C20D23 -123.14 7.94 -8.62 -0.22 0
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334220 127252772 1 N3O5H21C22 A3B5C21D22 -78.42 6.26 -7.87 -1.38 0
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334221 127252773 1 NO8C24H25 AB8C24D25 -257.61 3.86 -8.49 -0.82 0
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334222 127252774 1 N3O8C33H39 A3B8C33D39 -297.78 10.2 -8.59 -0.44 0
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334223 127252775 1 ClS2N3O7H22C25 AB2C3D7E22F25 -176.61 4.93 -8.93 -1.26 0
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334224 127252776 1 ClN3O3C17H26 AB3C3D17E26 -146.15 5.39 -8.78 -1.0 0
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334225 127252777 1 N3O3C17H25 A3B3C17D25 -104.41 4.23 -8.56 -0.6 0
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334226 127252778 2 N2O4C17H22 A2B4C17D22 -217.09 15.39 -8.77 -3.59 0
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334227 127252779 1 N3O3C20H25 A3B3C20D25 -118.52 1.91 -9.32 -0.68 0
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334228 127252780 1 SN4O4C20H24 AB4C4D20E24 -48.53 11.62 -8.86 -1.16 0
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334229 127252781 1 NO3H15C22 AB3C15D22 -18.74 3.89 -8.82 -1.56 0
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334230 127252782 1 N3O4H19C23 A3B4C19D23 -46.71 1.48 -8.41 -1.64 0
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334231 127252783 1 N3O5H19C23 A3B5C19D23 -62.15 2.35 -8.5 -1.54 0
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334232 127252784 1 NO7H21C26 AB7C21D26 -161.07 4.86 -8.49 -1.36 0
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334233 127252785 1 SN4O8C35H36 AB4C8D35E36 -183.44 10.15 -8.33 -0.88 0
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334234 127252786 1 ClN2O7H23C25 AB2C7D23E25 -214.7 5.63 -8.7 -0.76 0
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334235 127252787 1 O2N3C26H33 A2B3C26D33 -80.93 5.04 -8.08 -0.51 0
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334236 127252788 1 NO7H19C25 AB7C19D25 -156.06 4.34 -8.36 -1.57 0
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334237 127252789 1 O6N7C37H41 A6B7C37D41 -58.83 13.56 -8.04 -1.33 0
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334238 127252790 3 ON2C8H8 AB2C8D8 -26.39 7.81 -9.14 -0.95 0
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334239 127252791 1 N3O4C21H23 A3B4C21D23 -121.05 5.66 -8.62 -0.22 0
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334240 127252792 1 SN5O6C36H43 AB5C6D36E43 -137.95 1.24 -8.55 -0.51 0
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334241 127252793 1 O9H26C29 A9B26C29 -244.57 6.11 -8.19 -1.26 0
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334242 127252794 1 N3O5H17C24 A3B5C17D24 -50.45 4.79 -8.4 -1.54 0
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334243 127252795 1 N4O7C25H26 A4B7C25D26 -153.59 10.13 -8.13 -1.21 0
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334244 127252796 1 N5O7C38H43 A5B7C38D43 -163.22 5.66 -8.49 -0.82 0
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334245 127252797 1 NO4H17C24 AB4C17D24 -72.89 2.11 -8.82 -1.59 0
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334246 127252798 1 ClN3O7H24C25 AB3C7D24E25 -222.91 7.09 -9.14 -0.71 0