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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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167104 74780443 1 SO2N5C25H25 AB2C5D25E25 18.16 4.97 -9.35 -1.05 0
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167105 74780516 1 FSN2O2H25C28 ABC2D2E25F28 -4.89 3.43 -8.84 -1.03 0
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167106 74781744 1 N2O4C19H26 A2B4C19D26 -146.07 4.18 -8.52 -0.06 1
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167107 74781917 1 F2O2N3C20H28 A2B2C3D20E28 -161.71 6.85 0.0 0.0 1
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167108 74781981 1 ON2C21H29 AB2C21D29 -7.01 2.38 0.0 0.0 1
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167109 74782182 1 N3O3C25H34 A3B3C25D34 -90.86 0.51 0.0 0.0 1
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167110 74782318 1 F2O2N3C17H18 A2B2C3D17E18 -52.09 6.2 0.0 0.0 1
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167111 74782350 1 ON4C23H33 AB4C23D33 20.37 6.03 0.0 0.0 0
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167112 74782551 1 FO3N4C20H25 AB3C4D20E25 -147.77 2.04 -9.07 -0.52 1
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167113 74782684 1 SO3N4C21H31 AB3C4D21E31 -92.24 5.98 0.0 0.0 0
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167114 74782988 1 SO2N5C20H27 AB2C5D20E27 -39.36 7.05 -8.78 -0.38 0
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167115 74783041 1 SO4N6C21H22 AB4C6D21E22 -3.85 7.79 -9.13 -1.79 0
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167116 74783042 1 ClSO4N6H19C20 ABC4D6E19F20 0.79 7.7 -9.05 -2.24 0
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167117 74783418 1 ClSO2N5C18H20 ABC2D5E18F20 12.23 7.89 -9.03 -1.47 0
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167118 74783566 1 SO3N5H23C25 AB3C5D23E25 7.2 8.4 -8.92 -0.73 0
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167119 74783567 1 SO3N5H23C25 AB3C5D23E25 5.56 8.71 -8.88 -0.89 0
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167120 74783568 1 SO3N5H25C26 AB3C5D25E26 -1.48 4.77 -8.71 -0.6 0
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167121 74783569 1 SO3N5H25C26 AB3C5D25E26 -0.65 6.21 -8.86 -0.56 0
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167122 74783570 1 SO3N5C27H27 AB3C5D27E27 -7.23 7.59 -8.83 -0.42 0
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167123 74783571 1 SO3N5C28H29 AB3C5D28E29 -11.07 9.21 -8.82 -0.56 0
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167124 74784008 1 SO2N5C20H23 AB2C5D20E23 11.71 5.56 -8.97 -1.61 0
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167125 74784009 1 SO2N5C20H23 AB2C5D20E23 10.26 5.42 -8.94 -1.59 0
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167126 74784010 1 SO2N5C20H23 AB2C5D20E23 9.83 5.4 -8.97 -1.6 -1
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167127 74784393 1 ClNO6H21C23 ABC6D21E23 -194.55 5.12 0.0 0.0 1
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167128 74784498 1 SN2O5C20H31 AB2C5D20E31 -179.0 19.08 0.0 0.0 1
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167129 74784499 1 SN2O3C27H35 AB2C3D27E35 -69.37 21.66 0.0 0.0 1
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167130 74784500 1 SN2O3C30H41 AB2C3D30E41 -83.58 23.17 0.0 0.0 1
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167131 74784501 1 SN3O3C26H34 AB3C3D26E34 -72.83 12.5 0.0 0.0 1
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167132 74784502 1 SN2O4C28H37 AB2C4D28E37 -105.39 23.04 0.0 0.0 1
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167133 74784943 1 SN2O5C20H27 AB2C5D20E27 -118.78 7.14 0.0 0.0 0
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167134 74785572 1 N2O2C23H32 A2B2C23D32 -53.0 2.46 -8.24 -0.2 0
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167135 74785573 1 N3O5C21H29 A3B5C21D29 -192.65 2.06 -9.29 -0.35 1
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167136 74785686 1 N3O4C20H32 A3B4C20D32 -155.5 11.42 0.0 0.0 1
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167137 74785687 1 OSN7C17H28 ABC7D17E28 47.43 9.91 0.0 0.0 1
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167138 74785688 1 F2N2O2C26H33 A2B2C2D26E33 -131.56 13.98 0.0 0.0 1
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167139 74785689 1 NOC22H30 ABC22D30 2.56 2.88 0.0 0.0 1
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167140 74785690 1 ON3C22H28 AB3C22D28 44.83 6.57 0.0 0.0 2
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167141 74785691 1 SN2O3C22H38 AB2C3D22E38 -85.62 17.52 -5.72 -0.36 1
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167142 74785692 1 N2O4C23H25 A2B4C23D25 -89.93 27.13 0.0 0.0 0
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167143 74786007 1 O3N4C30H32 A3B4C30D32 -42.09 6.38 -8.53 -0.62 0
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167144 74786431 1 N2S2O3H16C20 A2B2C3D16E20 -38.95 4.64 -8.67 -1.57 1
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167145 74786726 1 N3O3C24H28 A3B3C24D28 -9.77 5.37 0.0 0.0 -1
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167146 74786766 1 N2S2O5C18H21 A2B2C5D18E21 -163.8 1.78 0.0 0.0 -1
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167147 74786767 1 N2S2O5C19H23 A2B2C5D19E23 -137.14 3.37 0.0 0.0 1
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167148 74787257 1 FO2N5C23H31 AB2C5D23E31 -81.22 3.35 0.0 0.0 1
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167149 74787453 1 O2N5C29H34 A2B5C29D34 36.29 3.0 0.0 0.0 -1
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167150 74787616 1 BNSF3C5H6 ABCD3E5F6 -217.14 9.76 0.0 0.0 0
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167151 74787981 1 BO2C4H9 AB2C4D9 -147.25 2.92 -10.61 1.62 0
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167152 74788065 1 BSiO3C7H13 ABC3D7E13 -203.86 3.72 -9.28 0.24 0
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167153 74788157 2 NH4C5 AB4C5 76.18 2.66 -9.36 -1.16 0
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167154 74788278 1 ClON3H6C10 ABC3D6E10 30.03 4.52 -9.9 -1.45 1
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167155 74788421 1 O2N4C15H27 A2B4C15D27 -81.83 3.03 0.0 0.0 0
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167156 74789104 1 BClFNO2C13H16 ABCDE2F13G16 -178.86 6.3 -9.57 -0.85 0
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167157 74789105 1 BFNO3C14H19 ABCD3E14F19 -220.61 4.74 -9.55 -0.64 0
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167158 74789106 1 BN3O4C13H18 AB3C4D13E18 -129.49 7.29 -8.9 -1.18 0
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167159 74789107 1 BN2O4C14H19 AB2C4D14E19 -215.68 7.03 -8.73 -0.81 0
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167160 74789108 1 BClN2O2C13H18 ABC2D2E13F18 -134.26 3.72 -8.5 -0.47 0
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167161 74789260 1 BN2O2C16H23 AB2C2D16E23 -136.47 3.35 -8.41 -0.26 0
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167162 74789311 1 BFNO2C13H17 ABCD2E13F17 -172.96 4.65 -9.52 -0.63 0
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167163 74789511 1 O2F3C9H13 A2B3C9D13 -275.06 6.61 -10.99 0.44 0
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167164 74789543 1 BNO4C15H20 ABC4D15E20 -216.88 9.21 -9.73 -1.17 0
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167165 74789544 1 BClNO2C14H19 ABCD2E14F19 -143.89 4.99 -9.13 -0.54 1
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167166 74789604 1 N3O3C31H32 A3B3C31D32 -26.15 4.38 0.0 0.0 1
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167167 74790212 1 O2N5C23H28 A2B5C23D28 16.82 14.43 0.0 0.0 1
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167168 74790379 1 ON6C23H33 AB6C23D33 20.47 3.84 0.0 0.0 1
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167169 74790380 1 SO2N4C20H27 AB2C4D20E27 15.52 5.33 0.0 0.0 0
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167170 74790381 1 SO2N4C20H26 AB2C4D20E26 -1.56 4.06 -8.46 -0.32 1
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167171 74790382 1 O3N5C23H34 A3B5C23D34 -78.97 5.18 0.0 0.0 2
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167172 74790585 1 ON5C24H39 AB5C24D39 87.23 46.01 -3.65 -1.63 1
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167173 74790725 1 SO3N5C19H32 AB3C5D19E32 -72.66 9.47 0.0 0.0 1
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167174 74790760 1 FON5C24H29 ABC5D24E29 17.53 5.17 0.0 0.0 1
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167175 74791173 1 ON4C23H27 AB4C23D27 48.68 2.27 0.0 0.0 0
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167176 74791278 1 NO3C16H21 AB3C16D21 -68.64 16.67 -8.54 -0.55 1
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167177 74791503 1 N2O4C22H35 A2B4C22D35 -149.27 4.04 0.0 0.0 1
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167178 74791561 1 N3O3C25H38 A3B3C25D38 -99.44 26.48 0.0 0.0 1
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167179 74791562 1 N2O2C19H31 A2B2C19D31 -90.38 3.12 0.0 0.0 1
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167180 74791563 1 FN2O2C26H34 AB2C2D26E34 -80.51 13.19 0.0 0.0 1
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167181 74791801 1 N2O6C27H35 A2B6C27D35 -199.93 3.93 0.0 0.0 0
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167182 74792573 1 ClO2N4C23H23 AB2C4D23E23 -2.74 2.69 -8.94 -0.5 0
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167183 74792584 1 O3N4C18H22 A3B4C18D22 -59.34 3.31 -8.44 -0.28 0
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167184 74793006 1 OSN5C22H29 ABC5D22E29 21.43 3.67 -9.08 -1.06 1
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167185 74793078 1 N2O3C23H27 A2B3C23D27 -29.91 3.65 0.0 0.0 1
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167186 74793181 1 ON4C21H23 AB4C21D23 62.39 13.62 0.0 0.0 1
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167187 74793208 1 O2N4C25H33 A2B4C25D33 -19.47 2.38 0.0 0.0 1
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167188 74793209 1 ON4C21H27 AB4C21D27 57.69 3.94 0.0 0.0 1
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167189 74793210 1 FOSN3C21H25 ABCD3E21F25 15.85 2.34 0.0 0.0 1
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167190 74793211 1 F2N2O2C18H25 A2B2C2D18E25 -150.55 8.92 0.0 0.0 1
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167191 74793212 1 O2N3C23H28 A2B3C23D28 7.25 8.24 0.0 0.0 2
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167192 74793213 1 N3O4C23H37 A3B4C23D37 -62.02 17.01 -5.94 -0.46 1
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167193 74793214 1 ON4C21H29 AB4C21D29 32.56 6.86 0.0 0.0 0
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167194 74793215 1 N2O5C24H30 A2B5C24D30 -171.26 3.38 -8.54 -0.32 0
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167195 74793216 2 NO2C13H16 AB2C13D16 -134.39 1.77 -9.18 -0.27 1
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167196 74793217 1 O3N4C26H31 A3B4C26D31 -4.99 8.03 0.0 0.0 0
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167197 74793218 1 FSN2O3C22H23 ABC2D3E22F23 -90.15 3.2 -8.88 -0.52 0
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167198 74793219 1 FN2O6H25C27 AB2C6D25E27 -204.09 3.5 -8.76 -0.97 1
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167199 74793220 1 ClSN3O4C20H31 ABC3D4E20F31 -147.03 5.6 0.0 0.0 1
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167200 74793221 1 N2O3C28H39 A2B3C28D39 -91.0 4.89 0.0 0.0 0
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167201 74793222 1 N2O3C28H38 A2B3C28D38 -116.03 2.49 -8.39 0.28 1
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167202 74793223 1 OSN6C24H31 ABC6D24E31 109.82 6.47 0.0 0.0 1
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167203 74793224 1 ClN2O4C24H26 AB2C4D24E26 -63.2 2.55 0.0 0.0 1