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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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299118 117671489 1 N2F3O3C17H17 A2B3C3D17E17 -134.18 4.5 -10.11 -1.46 0
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299119 117671498 1 NSO6C28H41 ABC6D28E41 -280.11 2.39 -9.39 -0.21 0
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299120 117671500 1 NO2C15H21 AB2C15D21 -77.05 5.06 -9.23 0.51 0
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299121 117671506 1 NO3C27H33 AB3C27D33 -80.83 5.74 -9.68 -0.62 0
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299122 117671508 1 O2C19H26 A2B19C26 -67.15 4.18 -9.55 0.22 0
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299123 117671509 2 OC7H7 AB7C7 -13.57 3.8 -9.52 0.25 0
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299124 117671523 1 PN5O5C26H32 AB5C5D26E32 -225.94 4.2 -8.54 -0.6 0
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299125 117671561 1 ON2C27H40 AB2C27D40 -28.37 1.14 -8.37 -0.71 0
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299126 117671856 1 N5O9C48H75 A5B9C48D75 -429.34 4.35 -8.68 0.25 0
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299127 117671929 1 N3O3C25H31 A3B3C25D31 -102.82 5.01 -9.36 -0.56 0
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299128 117672132 1 O9C46H72 A9B46C72 -437.8 5.51 -9.97 0.55 0
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299129 117672160 1 O2N6C11H18 A2B6C11D18 -55.34 5.97 -9.15 -0.46 0
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299130 117672195 1 ClF2O2N5C16H20 AB2C2D5E16F20 -166.62 6.3 -9.73 -1.26 0
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299131 117672203 1 ON5C16H17 AB5C16D17 23.61 6.95 -8.28 -0.71 0
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299133 117672498 1 NO8C47H59 AB8C47D59 -368.26 4.0 -9.44 -1.59 0
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299134 117672510 1 NO13C63H73 AB13C63D73 -519.48 3.57 -9.09 -1.1 0
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299135 117672511 1 NS2O5C32H43 AB2C5D32E43 -217.99 7.48 -8.89 -1.25 0
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299136 117672526 1 NO10C46H57 AB10C46D57 -439.67 4.7 -9.36 -1.18 0
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299137 117672581 2 O2C5H10 A2B5C10 -198.11 4.54 -9.84 0.8 0
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299138 117672589 1 BrO2N3H8C9 AB2C3D8E9 -45.35 2.39 -9.52 -1.34 0
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299139 117672600 1 O3C10H16 A3B10C16 -156.64 6.04 -11.2 -0.28 0
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299140 117672622 1 N2O4H26C27 A2B4C26D27 -37.62 2.3 -8.91 -1.65 0
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299141 117672680 2 OC18H23 AB18C23 -90.99 2.39 -8.72 0.15 0
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299142 117672688 4 O2C5H8 A2B5C8 -352.59 4.85 -8.09 0.21 0
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299143 117672691 1 O6C17H36 A6B17C36 -260.98 2.51 -9.74 0.18 0
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299144 117672710 1 BrN2H21C24 AB2C21D24 95.35 5.45 -8.99 -0.53 0
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299145 117672798 1 SN4O9C32H40 AB4C9D32E40 -285.56 3.53 -8.3 -0.81 1
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299146 117672809 1 N2S3O9C34H43 A2B3C9D34E43 -346.7 6.24 0.0 0.0 0
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299147 117673070 2 NOH38C41 ABC38D41 121.93 1.12 -7.51 -0.84 0
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299148 117673112 2 NOH36C41 ABC36D41 140.69 3.9 -7.18 -0.64 0
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299149 117673161 2 NOH40C43 ABC40D43 120.98 0.21 -7.44 -0.73 0
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299150 117673171 2 NOH40C43 ABC40D43 121.5 0.86 -7.47 -0.81 0
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299151 117673194 1 NO4H27C30 AB4C27D30 -51.1 4.96 -8.47 -0.96 0
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299152 117673262 2 FN2C24H37 AB2C24D37 -154.52 0.47 -8.72 -1.26 0
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299153 117673268 2 N2C23H38 A2B23C38 -32.87 0.08 -8.89 -1.73 0
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299154 117673271 2 OSC14H21 ABC14D21 -108.05 2.29 -7.57 -0.53 0
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299155 117673460 1 ON5C20H29 AB5C20D29 -2.92 0.16 -8.66 -0.54 0
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299156 117673486 1 NO2C29H33 AB2C29D33 5.95 3.07 -8.64 0.2 0
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299157 117673553 1 SN2O3C27H54 AB2C3D27E54 -234.0 0.45 -8.65 0.57 0
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299158 117673569 1 ON2C13H18 AB2C13D18 -19.85 1.9 -8.45 0.2 0
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299159 117673582 1 FNC6H12 ABC6D12 -52.13 0.16 -9.11 2.35 0
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299160 117673592 1 O2N5C26H31 A2B5C26D31 47.43 1.64 -8.94 -0.42 0
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299161 117673639 1 F3O4N6C33H37 A3B4C6D33E37 -217.96 8.96 -9.12 -1.78 0
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299162 117673640 1 F3N12O13C67H85 A3B12C13D67E85 -619.06 15.97 -8.67 -1.78 0
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299163 117673644 1 F3O9N11C56H72 A3B9C11D56E72 -475.16 7.0 -8.76 -1.75 0
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299164 117673706 1 F3O8N9C50H64 A3B8C9D50E64 -451.16 6.61 -9.01 -0.56 0
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299165 117673718 1 F4N10O11C58H72 A4B10C11D58E72 -605.11 9.18 -8.57 -1.92 0
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299166 117673719 1 F2O10N11C58H75 A2B10C11D58E75 -455.32 3.08 -8.68 -1.68 0
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299167 117673723 1 NO4H19C22 AB4C19D22 -50.06 5.38 -8.72 -0.28 0
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299168 117673745 1 FO3C12H21 AB3C12D21 -213.19 2.95 -9.64 0.83 0
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299169 117673755 1 PCl2N7O8H54C65 AB2C7D8E54F65 -82.0 11.59 -8.64 -1.27 0
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299170 117673791 1 INO3C20H20 ABC3D20E20 -72.99 4.02 -8.98 -1.38 0
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299171 117673875 1 F2N3O4H21C24 A2B3C4D21E24 -146.76 1.0 -8.48 -0.89 0
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299172 117673884 1 SCl2O5N8C26H26 AB2C5D8E26F26 -47.62 7.47 -8.19 -0.88 0
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299173 117673885 1 Cl2O3N7H21C24 A2B3C7D21E24 19.81 8.42 -8.45 -0.79 0
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299174 117673899 1 SN6O6C27H32 AB6C6D27E32 -145.79 4.11 -8.41 -0.87 0
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299175 117673909 1 N4O4H18C21 A4B4C18D21 -38.33 2.23 -9.05 -1.31 0
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299176 117673916 1 N4O4H22C23 A4B4C22D23 -56.73 4.44 -8.76 -1.2 0
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299177 117673995 1 SO4N5C19H23 AB4C5D19E23 -92.8 3.11 -8.56 -0.77 0
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299178 117674072 1 N4O6C33H40 A4B6C33D40 -192.86 8.78 -8.7 -0.87 0
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299179 117674084 1 SN3O6C29H33 AB3C6D29E33 -197.79 4.75 -8.82 -1.36 0
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299180 117674097 1 SN4O4C18H28 AB4C4D18E28 -154.31 2.64 -8.92 -0.76 0
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299181 117675097 1 O9H16F20C23 A9B16C20D23 -1364.69 4.32 -11.47 -1.02 0
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299182 117675433 1 O13C19H32 A13B19C32 -603.4 5.42 -9.91 0.17 0
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299183 117675851 1 O3N7C25H35 A3B7C25D35 -80.65 1.79 -8.23 -0.84 0
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299184 117675961 4 ON2C8H10 AB2C8D10 -57.42 2.25 -8.49 -0.96 0
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299185 117676387 1 NSCl2O4C7H13 ABC2D4E7F13 -166.37 5.01 -9.98 -1.23 0
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299186 117676619 2 NOC18H35 ABC18D35 -191.63 3.67 -8.43 0.41 0
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299188 117676688 1 ClON2H21C23 ABC2D21E23 23.51 5.87 -8.69 -0.73 0
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299189 117676779 1 BrO3N4C52H67 AB3C4D52E67 -129.96 5.61 -8.5 -2.11 0
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299190 117676812 1 N3C17H27 A3B17C27 20.19 3.14 -8.04 0.52 0
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299191 117676921 1 O3N6C32H36 A3B6C32D36 14.32 7.6 -8.81 -0.82 0
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299192 117677371 1 C5O5H12 A5B5C12 -232.04 1.88 -10.3 1.08 0
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299193 117677402 1 F3N3O4H18C22 A3B3C4D18E22 -243.84 9.33 -9.7 -1.52 0
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299194 117677403 1 SO3N7C22H27 AB3C7D22E27 -57.31 6.22 -8.82 -1.26 0
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299195 117677405 1 FSN5O5C23H26 ABC5D5E23F26 -194.0 6.18 -8.84 -1.14 0
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299196 117677544 2 O3C17H26 A3B17C26 -281.5 8.2 -8.65 -0.33 0
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299197 117677572 1 N3C26H41 A3B26C41 -15.5 1.22 -8.05 0.5 0
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299198 117677878 1 SO4N5C24H29 AB4C5D24E29 -128.55 5.56 -8.56 -1.05 0
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299199 117678229 1 FON4C11H11 ABC4D11E11 8.53 3.17 -8.93 -0.51 0
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299200 117678644 1 O10H42C49 A10B42C49 -283.16 11.89 -9.37 -1.46 0
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299201 117678802 1 F3N3O5C26H30 A3B3C5D26E30 -346.48 1.49 -9.51 -0.96 0
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299202 117679075 1 ClN3O6H16C21 AB3C6D16E21 -90.27 3.95 -9.76 -1.6 0
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299203 117679160 1 BrSN3O3C12H12 ABC3D3E12F12 -49.16 6.84 -9.61 -1.4 0
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299204 117679194 1 OF3N8C20H25 AB3C8D20E25 -127.28 2.93 -8.46 -0.64 0
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299205 117679195 1 O2F5N5H16C17 A2B5C5D16E17 -270.05 4.82 -9.24 -1.16 0
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299206 117679367 1 ClSN3O4C11H12 ABC3D4E11F12 -107.62 8.14 -10.17 -1.54 0
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299207 117679518 1 ON3C10H13 AB3C10D13 -9.83 9.13 -8.79 0.06 0
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299208 117679526 1 N3O3C15H25 A3B3C15D25 -110.47 3.07 -9.2 0.1 0
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299209 117679563 1 O5C9H14 A5B9C14 -181.28 3.28 -10.5 -0.59 0
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299210 117679884 1 ClSO2N4C23H33 ABC2D4E23F33 -120.44 5.47 -8.82 -0.61 -1
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299211 117680084 1 O2N4C8H13 A2B4C8D13 16.87 2.7 0.0 0.0 0
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299212 117680338 1 NC39H41 AB39C41 103.99 3.38 -8.1 -0.34 0
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299213 117680418 1 N4O6C41H44 A4B6C41D44 -157.23 6.64 -8.55 -0.74 0
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299214 117681098 1 N3O4C23H35 A3B4C23D35 -214.89 4.8 -9.8 0.27 0
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299215 117681099 1 N3O4C24H37 A3B4C24D37 -205.12 7.89 -9.5 -0.15 0
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299216 117681106 1 NO2C9H19 AB2C9D19 -120.03 3.64 -9.41 1.84 0
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299217 117681427 2 FO2N4C23H33 AB2C4D23E33 -295.9 6.26 -8.62 -0.67 0
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299218 117681506 1 N3O4C9H19 A3B4C9D19 -160.65 4.25 -9.31 -0.01 0
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299219 117681849 1 OPF2N2C5H5 ABC2D2E5F5 -99.62 3.2 -9.17 -0.77 0