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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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424101 135121320 1 ClSN2O5C22H35 ABC2D5E22F35 -229.8 7.83 -8.83 -0.41 0
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424102 135121322 1 N2O2C19H26 A2B2C19D26 -77.82 5.33 -8.6 -0.55 0
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424103 135121323 1 N2O2C19H26 A2B2C19D26 -81.18 6.82 -8.99 -0.26 0
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424104 135121330 1 ClO2N5C13H20 AB2C5D13E20 -70.71 9.04 -9.58 -1.1 0
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424106 135121335 2 O2C13H22 A2B13C22 -227.96 4.52 -9.53 0.42 0
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424109 135121345 1 NCl2O3C17H19 AB2C3D17E19 -133.33 4.63 -8.82 -0.6 0
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424110 135121349 1 ClNO3C16H16 ABC3D16E16 -96.63 9.17 -9.53 -1.22 0
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424111 135121361 1 NPO6C15H32 ABC6D15E32 -385.34 3.48 -9.38 0.28 0
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424112 135121362 1 O3C15H32 A3B15C32 -204.09 1.58 -10.49 0.81 0
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424113 135121367 1 NPO7C23H48 ABC7D23E48 -454.84 3.62 -9.73 0.36 0
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424114 135121368 1 O2C11H24 A2B11C24 -135.81 2.62 -9.9 1.79 4
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424116 135121384 2 O2N4C21H30 A2B4C21D30 -67.65 2.51 -7.82 -0.06 1
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424117 135121386 1 P4N15O24C32H44 A4B15C24D32E44 -1042.07 17.58 0.0 0.0 0
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424118 135121387 1 P2S2N6O10C19H30 A2B2C6D10E19F30 -477.86 5.9 -9.02 -1.9 1
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424119 135121396 1 NPO8C21H43 ABC8D21E43 -453.61 4.69 0.0 0.0 0
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424120 135121406 1 BaO4C7H10 AB4C7D10 -403.9 10.27 -10.11 -2.54 0
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424121 135121411 1 O4C9H12 A4B9C12 -178.07 7.65 -10.89 -0.02 0
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424122 135121412 1 BrNOH6C10 ABCD6E10 45.79 2.83 -10.05 -1.48 0
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424123 135121417 1 O4C11H12 A4B11C12 -153.18 4.93 -8.85 -0.17 0
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424124 135121418 1 O3H8C12 A3B8C12 -17.61 3.73 -9.21 -1.3 0
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424125 135121429 1 ON3C12H13 AB3C12D13 30.77 3.61 -8.96 -0.75 0
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424126 135121430 1 O2N3H7C11 A2B3C7D11 44.14 5.8 -9.43 -1.04 0
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424127 135121433 1 O5C11H12 A5B11C12 -165.8 6.64 -9.25 -0.47 0
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424128 135121435 1 O5C6N6H16 A5B6C6D16 -206.67 10.09 -9.9 -0.2 0
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424129 135121436 1 O5C12H14 A5B12C14 -188.44 6.29 -8.94 -0.47 0
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424130 135121437 1 N2O2H12C13 A2B2C12D13 -3.03 2.92 -9.23 -1.76 0
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424131 135121439 1 NaO5C11H13 AB5C11D13 -265.64 10.65 -8.9 -1.06 0
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424132 135121442 1 SO8C9H10 AB8C9D10 -294.38 7.23 -9.38 -1.35 0
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424133 135121451 1 BrON3H8C13 ABC3D8E13 77.27 6.04 -9.59 -1.1 0
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424134 135121455 2 NOC7H9 ABC7D9 -75.75 2.2 -8.72 -0.3 0
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424135 135121456 1 N3H11C16 A3B11C16 139.91 14.47 -8.31 -1.38 0
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424136 135121457 1 ON3H13C15 AB3C13D15 61.14 5.3 -9.31 -0.9 0
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424137 135121459 1 N2C8O9H10 A2B8C9D10 -372.7 4.88 -11.44 -1.15 0
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424138 135121462 1 O2N3C14H15 A2B3C14D15 -12.46 5.41 -9.07 -1.02 0
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424139 135121467 2 NOH6C8 ABC6D8 8.5 2.59 -9.24 -1.84 0
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424140 135121470 1 FO5H9C14 AB5C9D14 -168.64 2.86 -9.89 -1.47 0
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424141 135121472 1 ClO5H9C14 AB5C9D14 -130.17 2.92 -9.9 -1.49 0
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424142 135121477 1 BrNOSC16H32 ABCDE16F32 -119.14 3.31 -8.97 -0.55 0
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424143 135121480 1 NO2F5H12C13 AB2C5D12E13 -300.11 5.52 -8.67 -0.73 0
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424144 135121482 1 NH13C20 AB13C20 128.87 1.7 -8.24 -0.53 0
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424145 135121485 1 NO4H11C16 AB4C11D16 -77.46 4.56 -8.54 -1.71 0
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424146 135121488 1 ON3H11C17 AB3C11D17 91.55 5.13 -8.93 -0.94 0
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424147 135121489 1 SO2C18H30 AB2C18D30 -123.27 3.65 -8.24 -0.08 0
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424148 135121493 1 NO7C14H15 AB7C14D15 -274.87 5.8 -9.86 -1.77 0
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424149 135121496 1 N2O3H14C17 A2B3C14D17 -33.22 2.38 -8.94 -1.74 0
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424150 135121499 2 N2C9H9 A2B9C9 111.7 5.25 -8.16 -0.95 0
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424151 135121512 1 NO8C14H15 AB8C14D15 -301.18 6.27 -9.33 -1.72 0
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424152 135121515 1 O2C21H34 A2B21C34 -117.79 0.78 -8.54 -0.09 0
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424153 135121519 1 ON2H18C21 AB2C18D21 42.88 3.8 -8.28 -1.11 0
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424154 135121538 1 NSO2H15C22 ABC2D15E22 33.92 2.34 -9.08 -2.1 0
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424155 135121547 1 FO3C23H29 AB3C23D29 -194.21 6.38 -9.31 0.18 0
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424156 135121553 1 N4O4H18C19 A4B4C18D19 -70.35 8.09 -9.03 -1.33 0
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424157 135121556 1 O2C25H44 A2B25C44 -159.83 3.58 -8.65 0.42 0
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424158 135121557 1 N2O3H20C22 A2B3C20D22 -26.39 4.25 -9.28 -1.68 0
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424159 135121558 1 FO2N4H19C21 AB2C4D19E21 -61.2 8.11 -8.48 -0.51 0
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424160 135121559 1 N2O3H18C23 A2B3C18D23 -8.11 1.66 -8.94 -1.78 0
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424161 135121561 1 NSO3H17C23 ABC3D17E23 -7.97 3.62 -9.01 -2.04 0
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424162 135121563 1 ClFO2N4H16C20 ABC2D4E16F20 -63.12 4.58 -8.55 -0.78 0
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424163 135121569 4 NOC5H5 ABC5D5 -77.74 5.47 -8.55 -0.58 0
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424164 135121574 1 ClFO2N4H18C21 ABC2D4E18F21 -64.47 5.78 -8.72 -0.83 0
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424165 135121579 1 O4N5H17C20 A4B5C17D20 -39.74 11.85 -8.51 -1.42 0
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424166 135121589 1 O3N5H19C23 A3B5C19D23 92.26 4.42 -8.33 -1.66 0
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424167 135121592 1 SO4N5H19C21 AB4C5D19E21 -56.06 2.95 -8.94 -1.14 0
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424168 135121598 1 ClO6N7C18H26 AB6C7D18E26 -124.06 3.41 -9.97 -1.11 0
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424169 135121600 1 O3N4H16C25 A3B4C16D25 106.66 2.4 -9.3 -2.05 0
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424170 135121604 1 H6C7O12N14 A6B7C12D14 160.07 4.53 -10.77 -2.44 0
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424171 135121607 1 O2N6H20C25 A2B6C20D25 76.5 6.79 -8.79 -1.47 0
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424172 135121612 1 O2N6H20C25 A2B6C20D25 76.68 5.55 -9.08 -1.52 0
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424173 135121614 1 ClO2N6H17C24 AB2C6D17E24 78.14 5.48 -9.3 -1.52 0
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424174 135121615 1 N4O4H16C25 A4B4C16D25 56.58 3.37 -8.64 -1.91 0
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424175 135121616 1 BrO2N6H17C24 AB2C6D17E24 89.17 5.06 -9.24 -1.6 0
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424176 135121617 3 NOH7C9 ABC7D9 27.55 2.66 -8.57 -0.93 0
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424177 135121620 1 NOH25C31 ABC25D31 72.15 1.86 -8.43 -0.87 0
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424178 135121622 1 N2O2H26C29 A2B2C26D29 17.74 4.16 -8.68 -0.34 0
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424179 135121631 1 O3N5H17C26 A3B5C17D26 124.55 5.43 -9.21 -1.64 0
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424180 135121635 1 NOH27C32 ABC27D32 62.11 2.55 -8.38 -0.82 0
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424181 135121637 1 SO2N6H22C25 AB2C6D22E25 108.7 6.73 -8.47 -1.08 0
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424182 135121638 1 O4N7H17C24 A4B7C17D24 78.93 5.52 -9.3 -1.75 0
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424183 135121640 1 H6C7N14O14 A6B7C14D14 167.9 2.97 -11.08 -2.62 0
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424184 135121660 1 BrNOSC35H46 ABCDE35F46 -41.34 1.8 -8.66 -0.54 0
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424185 135121664 1 GeSiC2H4 ABC2D4 197.7 5.01 -5.15 -2.54 0
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424186 135121668 1 PO10H25C30 AB10C25D30 -348.83 1.01 -8.62 -0.46 0
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424187 135121694 2 NPO5C18H24 ABC5D18E24 -455.45 2.95 -7.85 -0.26 0
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424188 135121696 1 NSiC4H9 ABC4D9 59.34 2.09 -7.33 -1.22 0
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424189 135121697 1 C2H4O5 A2B4C5 -150.34 0.63 -11.02 -0.62 0
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424190 135121699 1 CCoO6H8 ABC6D8 -305.86 18.34 0.0 0.0 0
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424191 135121700 2 GeC3H8 AB3C8 50.65 0.01 -5.61 -2.09 0
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424192 135121703 1 NO3C18H21 AB3C18D21 -86.75 2.63 -9.31 -0.24 2
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424193 135121707 1 CrN2Na2S2O9H14C20 AB2C2D2E9F14G20 -413.85 12.55 -8.09 -1.1 0
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424194 135121708 1 N2O2Cl4H22C25 A2B2C4D22E25 -62.81 1.68 -9.43 -0.82 0
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424195 135121712 1 N2O5C24H24 A2B5C24D24 -136.06 5.78 -8.9 -0.92 0
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424196 135121714 1 NOCl3C9H12 ABC3D9E12 -63.96 1.65 -9.09 -0.41 0
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424197 135121715 1 FBr2N2O2H3C6 AB2C2D2E3F6 -29.58 3.49 -9.63 -1.68 0
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424198 135121724 1 NC11H15 AB11C15 22.79 1.6 -9.46 0.0 0
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424199 135121725 1 O3N5H13C16 A3B5C13D16 98.47 13.3 -9.51 -1.45 0
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424200 135121727 1 O3N5C28H29 A3B5C28D29 -22.2 7.33 -8.99 -0.54 0
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424201 135121728 1 SN2O2C30H44 AB2C2D30E44 -95.95 4.69 -8.46 -0.53 0
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424202 135121729 1 N4H8C9 A4B8C9 116.85 1.64 -9.49 -1.28 0
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424203 135121730 1 NF3O4C13H14 AB3C4D13E14 -319.93 4.73 -10.38 -0.86 0
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424204 135121731 1 BrO2F3H4C8 AB2C3D4E8 -197.49 3.18 -9.93 -1.04 0