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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
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214546 85083174 1 ClO7C30H39 AB7C30D39 -334.48 7.03 -9.8 -0.28 0
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214547 85083175 1 N3O11C25H31 A3B11C25D31 -431.39 1.42 -9.26 -0.65 0
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214548 85083176 1 S2N7O7C21H21 A2B7C7D21E21 -114.73 2.12 -9.0 -1.15 0
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214549 85083177 1 SF3O3N5C26H28 AB3C3D5E26F28 -156.07 4.8 -8.72 -1.12 0
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214550 85083178 1 SN3O6C29H29 AB3C6D29E29 -150.59 5.73 -9.37 -0.32 0
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214551 85083179 1 N3O6C31H37 A3B6C31D37 -231.92 2.96 -8.81 -0.44 0
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214552 85083182 2 NO4C15H17 AB4C15D17 -273.48 5.14 -9.24 -0.29 0
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214553 85083183 1 PSN2O5C29H29 ABC2D5E29F29 -129.2 2.47 -8.89 -0.77 0
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214554 85083184 1 O10C29H40 A10B29C40 -426.56 2.86 -9.03 0.26 0
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214555 85083185 2 N2O3C15H18 A2B3C15D18 -220.39 4.48 -8.99 -0.66 0
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214556 85083186 1 SO8C29H40 AB8C29D40 -363.2 5.29 -9.41 -0.63 0
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214557 85083187 1 O4C37H40 A4B37C40 -39.6 1.56 -8.02 -0.77 0
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214558 85083189 1 O7C32H52 A7B32C52 -403.95 5.93 -9.51 0.54 0
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214559 85083191 1 Si2O5C30H52 A2B5C30D52 -353.66 2.98 -8.98 0.14 0
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214560 85083192 1 ClSN2O5H25C29 ABC2D5E25F29 -98.52 3.99 -9.46 -1.12 0
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214561 85083197 1 SN5O6C26H39 AB5C6D26E39 -241.22 2.62 -9.18 -1.05 0
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214562 85083198 1 O4N5C31H43 A4B5C31D43 -169.81 4.91 -9.21 -0.3 0
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214563 85083199 1 NSO5C32H39 ABC5D32E39 -177.25 3.9 -8.48 -0.45 0
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214564 85083200 1 Si2N5O5C25H43 A2B5C5D25E43 -268.09 3.54 -8.83 -0.59 0
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214565 85083202 1 PN4O7C26H39 AB4C7D26E39 -321.65 2.02 -8.62 0.03 0
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214566 85083204 1 F3O6C30H37 A3B6C30D37 -356.42 6.51 -9.5 -0.67 0
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214567 85083205 2 O4C16H19 A4B16C19 -301.9 6.8 -9.7 -0.95 0
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214568 85083207 1 N2O4C35H38 A2B4C35D38 -97.13 2.8 -8.53 -0.54 0
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214569 85083209 1 SN2O5C31H38 AB2C5D31E38 -150.78 2.54 -8.59 -0.01 0
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214570 85083211 1 ClSN4O5C26H35 ABC4D5E26F35 -165.33 6.03 -8.51 -0.07 0