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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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214496 85083124 1 SF3O3N6C25H29 AB3C3D6E25F29 -167.96 6.66 -9.14 -0.79 1
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214497 85083125 1 PN2O3H26C34 AB2C3D26E34 39.17 14.24 0.0 0.0 0
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214498 85083126 1 S3N4O5H22C24 A3B4C5D22E24 -55.7 7.69 -9.27 -1.77 0
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214499 85083127 2 N2O2C16H19 A2B2C16D19 -134.8 5.15 -8.76 -0.47 0
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214500 85083128 1 O6C33H50 A6B33C50 -280.84 3.37 -8.95 -0.47 0
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214501 85083129 1 SSiO3C33H38 ABC3D33E38 -58.65 1.86 -7.85 0.02 0
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214502 85083130 2 NSiO3C13H25 ABC3D13E25 -417.35 6.65 -9.04 0.1 0
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214503 85083131 1 Si2O3C32H54 A2B3C32D54 -226.34 2.52 -8.72 0.23 0
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214504 85083132 1 OSiC36H66 ABC36D66 -196.08 1.96 -8.7 1.32 0
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214505 85083133 1 ClN2O2H27C35 AB2C2D27E35 78.73 3.99 -8.34 -1.06 0
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214506 85083134 1 BrPO6C24H48 ABC6D24E48 -416.83 3.01 -9.96 -0.16 0
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214507 85083135 1 N5O7H27C28 A5B7C27D28 -182.36 8.41 -9.54 -1.9 0
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214508 85083136 1 O4N7C29H33 A4B7C29D33 -40.84 3.29 -8.4 -0.32 0
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214509 85083137 1 O4N7C29H33 A4B7C29D33 47.24 3.35 -8.45 -0.45 0
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214510 85083138 1 SO4N5C29H29 AB4C5D29E29 -71.82 4.48 -8.7 -1.57 0
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214511 85083139 1 BrClO3N4H24C25 ABC3D4E24F25 19.26 9.38 -8.96 -1.08 0
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214512 85083140 1 SN3C35H49 AB3C35D49 129.18 3.71 -7.98 -0.6 0
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214513 85083141 1 IO11C18H25 AB11C18D25 -447.77 6.92 -9.54 -0.71 0
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214514 85083142 1 BrNO6C27H30 ABC6D27E30 -167.64 2.75 -8.13 -0.59 0
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214515 85083143 1 O12C27H28 A12B27C28 -451.36 6.86 -8.85 -0.69 1
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214516 85083144 1 N3O13C21H42 A3B13C21D42 -569.74 7.4 0.0 0.0 0
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214517 85083145 1 N2F3O4C30H35 A2B3C4D30E35 -258.67 5.58 -9.3 -0.67 0
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214518 85083146 1 S2N6O6C23H24 A2B6C6D23E24 -102.28 9.7 -9.13 -1.07 0
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214519 85083147 2 O5C14H24 A5B14C24 -469.72 13.51 -9.04 0.14 0
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214520 85083148 1 N2O5C33H40 A2B5C33D40 -178.0 6.4 -9.4 -0.69 0
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214521 85083149 4 NOC8H10 ABC8D10 -141.95 7.27 -8.53 -1.07 0
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214522 85083150 1 S3C34H40 A3B34C40 73.31 2.04 -8.43 -0.32 0
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214523 85083151 1 NCl3O4C27H36 AB3C4D27E36 -230.67 4.19 -8.95 -0.56 0
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214524 85083152 1 ClN4O4C29H41 AB4C4D29E41 -186.23 5.61 -9.25 0.0 0
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214525 85083153 1 SN3O4F6H17C23 AB3C4D6E17F23 -404.14 5.67 -9.76 -1.36 0
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214526 85083154 1 F2N5O6C26H29 A2B5C6D26E29 -306.94 1.67 -8.97 -0.61 0
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214527 85083155 1 BrPC33H38 ABC33D38 42.11 12.81 -7.43 -0.9 0
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214528 85083156 1 NO8C31H31 AB8C31D31 -295.16 5.19 -9.0 -1.13 0
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214529 85083157 1 N5O7C27H39 A5B7C27D39 -287.53 3.88 -8.73 -0.24 0
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214530 85083158 2 ClNOC15H27 ABCD15E27 -169.08 4.51 -9.42 1.1 0
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214531 85083159 1 N5O6C28H43 A5B6C28D43 -256.05 8.44 -8.38 0.05 0
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214532 85083160 1 NSO3C34H43 ABC3D34E43 -49.18 2.3 -8.52 0.1 0
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214533 85083161 1 NPSi2O6C25H48 ABC2D6E25F48 -528.85 9.55 -8.61 -0.34 0
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214534 85083162 1 ClFN3O6C27H29 ABC3D6E27F29 -179.55 16.45 -9.17 -0.65 0
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214535 85083163 1 ClS3O6N7H16C17 AB3C6D7E16F17 -70.22 12.07 -9.43 -1.44 0
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214536 85083164 1 BN4O10C24H31 AB4C10D24E31 -451.11 6.35 -9.17 -0.7 0
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214537 85083165 1 SN2O2Cl4C24H24 AB2C2D4E24F24 -6.25 5.6 -8.48 -0.71 0
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214538 85083166 1 F2N4O8H24C25 A2B4C8D24E25 -393.75 5.42 -9.05 -0.64 0
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214539 85083167 1 IN2O2C26H47 AB2C2D26E47 -94.38 9.39 -7.32 -1.07 1
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214540 85083168 1 N2O2C26H47 A2B2C26D47 -78.72 17.71 0.0 0.0 0
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214541 85083169 1 N2F3O4C30H37 A2B3C4D30E37 -275.22 40.26 -7.92 -1.6 1
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214542 85083170 1 N2O2C28H37 A2B2C28D37 -38.81 4.78 0.0 0.0 0
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214543 85083171 1 O8C31H46 A8B31C46 -369.2 3.55 -9.61 -1.69 0
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214544 85083172 1 O7C32H50 A7B32C50 -336.4 3.46 -9.48 0.44 0
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214545 85083173 1 O4C35H62 A4B35C62 -169.99 1.53 -8.96 0.29 0