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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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385072 134978260 2 OC11H20 AB11C20 -135.84 0.72 -9.97 1.97 0
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385073 134978261 1 O4C17H28 A4B17C28 -180.18 1.38 -9.84 1.6 0
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385074 134978262 2 BrO2H8C11 AB2C8D11 -41.62 6.81 -9.07 -0.98 0
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385075 134978264 3 OC7H10 AB7C10 -117.46 5.26 -9.79 0.34 0
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385076 134978268 1 O2C19H28 A2B19C28 -30.25 1.04 -9.66 1.09 0
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385077 134978271 1 O4C17H28 A4B17C28 -184.14 7.09 -9.82 0.55 0
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385078 134978273 1 O5C19H30 A5B19C30 -217.46 5.26 -9.7 1.33 0
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385079 134978274 1 SiO2C23H44 AB2C23D44 -145.19 2.98 -9.02 1.55 0
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385080 134978279 4 H4C5 A4B5 157.9 0.33 -8.67 -0.63 0
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385081 134978280 1 C11H14 A11B14 61.54 0.19 -8.94 0.04 0
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385082 134978281 1 OSiC17H20 ABC17D20 -29.74 0.95 -9.41 0.06 0
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385083 134978284 1 NNaC9H18 ABC9D18 50.87 15.11 -3.71 -0.11 0
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385084 134978285 1 O3C18H22 A3B18C22 -74.77 2.96 -9.69 -0.93 0
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385085 134978287 2 O3C10H11 A3B10C11 -208.32 5.53 -10.11 -1.42 0
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385086 134978288 1 NO3C19H21 AB3C19D21 -40.03 3.69 -8.13 -0.71 0
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385087 134978290 1 BLiN2C9H20 ABC2D9E20 -34.99 4.75 -6.9 1.74 0
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385088 134978292 1 O4C15H22 A4B15C22 -172.48 3.03 -9.14 0.13 0
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385089 134978294 4 H5C6 A5B6 190.86 1.53 -8.27 -0.44 0
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385090 134978295 4 H5C6 A5B6 297.6 0.64 -8.45 -0.43 1
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385091 134978297 1 Se3H17C21 A3B17C21 109.69 0.53 0.0 0.0 1
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385092 134978301 1 NH20C22 AB20C22 117.75 1.39 0.0 0.0 0
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385093 134978302 1 BNF4C21H24 ABC4D21E24 -250.43 12.88 -9.31 -3.07 0
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385095 134978306 1 O6H47C63 A6B47C63 121.7 0.87 0.0 0.0 0
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385096 134978308 1 NSO3C17H25 ABC3D17E25 -111.68 4.34 -9.2 0.24 0
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385097 134978309 1 PBr2C13H25 AB2C13D25 -72.38 5.64 -8.77 -0.47 0
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385098 134978311 1 PC4O6H7 AB4C6D7 -275.15 2.74 -10.35 -0.54 0
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385099 134978312 1 PO2C19H37 AB2C19D37 -208.3 2.57 -9.35 1.59 0
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385100 134978313 1 P2F6C23H24 A2B6C23D24 -222.64 16.67 -6.49 -1.06 0
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385101 134978315 1 P2F6H26C27 A2B6C26D27 -409.68 18.78 -9.27 -1.15 1
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385102 134978316 1 PH26C27 AB26C27 83.77 13.21 0.0 0.0 0
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385103 134978317 1 BrPN2C23H34 ABC2D23E34 -30.24 12.43 -7.66 -0.47 0
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385104 134978318 1 BrPN2C21H28 ABC2D21E28 -8.28 6.47 -7.55 0.07 0
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385105 134978322 1 IPSC17H38 ABCD17E38 -109.0 6.95 -7.98 0.41 0
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385106 134978326 1 IOPC7H16 ABCD7E16 -94.52 7.55 -8.14 0.1 0
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385107 134978328 1 BrPN2O2C26H28 ABC2D2E26F28 -25.67 6.01 -8.52 -0.18 0
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385108 134978332 1 SN2O6C28H28 AB2C6D28E28 -103.0 10.86 -9.11 -1.21 0
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385109 134978333 1 ClNSO4C28H28 ABCD4E28F28 -107.08 7.43 -8.86 -0.68 0
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385110 134978338 2 OC9H14 AB9C14 -132.37 1.69 -9.01 0.46 0
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385111 134978339 2 OC6H8 AB6C8 -86.88 2.97 -9.84 -0.32 0
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385112 134978342 1 BLiP2C34H58 ABC2D34E58 -120.46 6.0 -7.89 0.84 0
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385113 134978344 8 OSi2P3C11H28 AB2C3D11E28 -4001.75 41.19 -5.5 -0.26 0
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385114 134978345 1 P2C47H98 A2B47C98 -250.6 1.59 -8.52 3.09 0
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385115 134978347 1 PC12H17 AB12C17 17.94 2.14 -8.86 0.48 0
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385116 134978348 1 NPO3C15H32 ABC3D15E32 -231.2 4.75 -9.38 0.93 -4
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385120 134978360 2 SiH11C12 AB11C12 244.22 1.42 -8.9 -0.77 0
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385121 134978362 1 O3C16H24 A3B16C24 -120.27 2.83 -8.82 0.09 0
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385122 134978363 1 Si2O3C29H50 A2B3C29D50 -262.46 3.42 -8.87 0.1 0
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385123 134978364 1 SiO4C25H40 AB4C25D40 -230.73 2.97 -8.76 0.14 0
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385125 134978368 2 RuC17H19 AB17C19 338.63 18.84 -7.9 -4.16 0
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385127 134978371 1 NSi2C26H39 AB2C26D39 90.35 4.28 -9.06 0.17 0
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385128 134978372 1 OSiC34H48 ABC34D48 73.24 2.45 -9.04 -0.02 0
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385129 134978373 1 SiO4C22H30 AB4C22D30 -8.11 3.44 -9.02 -1.05 0
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385130 134978376 1 OPN2S2F6H25C38 ABC2D2E6F25G38 -179.71 4.74 -8.29 -1.39 0
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385131 134978377 1 PO7C19H21 AB7C19D21 -295.9 4.9 -9.72 -0.94 0
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385132 134978378 1 NPO6H24C25 ABC6D24E25 -211.03 12.04 -9.9 -0.51 0
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385133 134978382 1 O8C25H34 A8B25C34 -229.15 6.31 -9.2 -0.49 0
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385135 134978387 1 O2Si3C25H42 A2B3C25D42 -139.66 3.05 -8.72 -0.33 0
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385136 134978392 1 P3N5C10O14H16 A3B5C10D14E16 -738.73 13.44 -8.77 -0.92 0
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385137 134978393 1 NPO2S2C24H34 ABC2D2E24F34 -154.65 12.41 -8.3 0.26 0
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385138 134978395 1 NPO5C21H46 ABC5D21E46 -338.69 10.44 -9.52 -0.1 1
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385139 134978396 1 NPO5C21H47 ABC5D21E47 -260.38 11.57 0.0 0.0 0
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385140 134978397 1 P2O5C10H24 A2B5C10D24 -370.64 2.86 -10.26 1.15 0
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385141 134978398 1 NPF3O7C11H13 ABC3D7E11F13 -464.47 18.09 -8.96 -1.24 0
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385142 134978399 1 SN2P2C10O11H16 AB2C2D10E11F16 -592.3 3.91 -9.31 -0.95 0
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385143 134978400 1 PSN5O7H42C45 ABC5D7E42F45 -147.27 6.15 -8.71 -0.64 0
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385144 134978401 1 PSN5O7H42C45 ABC5D7E42F45 -144.11 5.47 -8.59 -0.82 0
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385145 134978402 1 PSN5O8H42C45 ABC5D8E42F45 -192.66 14.33 -8.6 -1.01 0
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385146 134978403 1 PSN5O8H42C45 ABC5D8E42F45 -196.28 10.37 -8.38 -0.99 -1
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385147 134978405 1 PN2O5C27H52 AB2C5D27E52 -321.99 9.66 0.0 0.0 0
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385148 134978406 1 PN2O5C27H53 AB2C5D27E53 -344.72 4.35 -9.19 0.4 0
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385149 134978407 1 PSN5O7C43H48 ABC5D7E43F48 -207.01 16.49 -8.67 -0.86 0
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385150 134978408 1 NPO2C16H32 ABC2D16E32 -202.53 6.21 -8.9 1.48 0
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385151 134978409 1 BrPN2O6C10H20 ABC2D6E10F20 -255.25 4.92 -9.08 -0.74 -1
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385152 134978412 1 PN2Br3O10C11H11 AB2C3D10E11F11 -410.3 3.32 0.0 0.0 0
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385153 134978413 1 PN2Br3O10C11H12 AB2C3D10E11F12 -459.4 2.71 -10.21 -2.12 0
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385154 134978416 1 NPSO6C47H86 ABCD6E47F86 -485.77 2.59 -9.46 -0.48 0
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385156 134978418 1 NPSO6C43H78 ABCD6E43F78 -470.03 3.19 -9.91 -0.78 0
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385157 134978419 1 OPN2C21H35 ABC2D21E35 -155.24 5.24 -9.08 1.67 0
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385158 134978420 1 PSN2O2C17H19 ABC2D2E17F19 -75.41 3.52 -8.74 -0.14 0
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385159 134978421 1 SO3C16H20 AB3C16D20 -91.33 6.26 -8.24 -0.09 0
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385160 134978422 1 Si2C19H30 A2B19C30 -34.58 1.33 -9.14 0.41 0
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385161 134978423 1 NSSnO3C29H51 ABCD3E29F51 -128.7 7.62 -8.88 -0.01 0
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385162 134978424 1 C13H22 A13B22 2.89 1.18 -9.31 0.65 0
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385163 134978425 1 NO3C20H23 AB3C20D23 6.71 5.32 -9.47 -1.15 0
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385164 134978426 2 OC9H9 AB9C9 -2.72 0.52 -9.23 -0.16 0
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385165 134978430 1 O3C17H22 A3B17C22 -86.65 2.55 -9.01 0.04 0
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385166 134978431 1 SiO2C18H26 AB2C18D26 -89.52 1.71 -8.32 0.42 0
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385167 134978432 1 OH24C25 AB24C25 35.6 2.46 -8.64 -0.32 0
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385168 134978434 1 O3C20H32 A3B20C32 -149.27 4.61 -9.2 0.27 0
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385170 134978437 2 C9H11 A9B11 48.13 1.01 -9.01 0.04 0
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385171 134978438 2 C9H11 A9B11 60.5 1.05 -9.0 0.03 0
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385172 134978444 1 SiC22H32 AB22C32 34.7 0.75 -9.06 0.0 0
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385173 134978448 1 NO4C20H25 AB4C20D25 -49.55 5.15 -8.48 -0.51 0
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385174 134978449 1 C19H28 A19B28 62.62 1.73 -9.43 1.31 0
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385175 134978450 5 C3H4 A3B4 51.95 0.54 -9.2 1.2 0
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385176 134978452 1 NO4H13C15 AB4C13D15 -29.05 9.27 -8.99 -1.3 0
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385177 134978454 1 SiO4C21H26 AB4C21D26 -57.24 3.97 -8.84 -0.61 0
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385178 134978457 1 ON2C18H18 AB2C18D18 34.72 9.58 -8.96 -1.44 0
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385179 134978460 1 OC15H26 AB15C26 -78.12 2.06 -8.34 0.72 0
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385180 134978463 1 NCl2C19H23 AB2C19D23 14.61 2.67 -8.91 -0.67 0