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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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434468 135175011 1 N3O3H19C23 A3B3C19D23 12.97 5.77 -9.55 -1.06 0
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434469 135175012 1 N4O4C25H30 A4B4C25D30 -64.43 5.43 -8.42 -0.84 0
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434470 135175013 2 O3N5C27H30 A3B5C27D30 -67.51 5.6 -8.76 -1.01 0
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434471 135175014 1 ON5C9H15 AB5C9D15 -15.37 7.23 -8.42 -0.06 0
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434472 135175015 1 NC11H25 AB11C25 -52.03 1.5 -8.82 3.12 0
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434473 135175016 1 ON3C31H37 AB3C31D37 157.63 6.02 -7.77 -0.53 0
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434475 135175020 1 P2S2O9N10C20H28 A2B2C9D10E20F28 -381.09 11.54 -8.48 -0.56 0
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434476 135175023 1 PSF2N5O5C11H16 ABC2D5E5F11G16 -323.09 9.21 -9.4 -0.63 0
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434478 135175025 1 P2S3O9N11C19H25 A2B3C9D11E19F25 -336.55 10.32 -9.44 -1.73 1
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434480 135175027 1 N3O10C26H37 A3B10C26D37 -391.41 9.43 -8.79 -0.59 0
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434481 135175028 1 PO4N5C11H16 AB4C5D11E16 -156.21 1.04 -9.3 -0.74 0
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434482 135175029 2 FPSN5O5C11H14 ABCD5E5F11G14 -556.69 15.12 -9.05 -0.99 0
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434485 135175032 1 NO3C11H25 AB3C11D25 -143.62 0.67 -9.11 1.52 0
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434486 135175033 1 NO3C11H25 AB3C11D25 -141.61 3.01 -8.99 1.63 0
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434487 135175034 1 FPSN5O5C10H13 ABCD5E5F10G13 -267.69 11.02 -9.33 -0.46 0
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434488 135175035 1 P2S2N10O10C21H26 A2B2C10D10E21F26 -409.31 16.27 -9.04 -1.0 0
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434489 135175036 1 FPSN5O5C10H13 ABCD5E5F10G13 -269.49 8.47 -9.41 -0.57 0
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434490 135175037 1 FPN5O5C10H13 ABC5D5E10F13 -235.65 10.05 -9.35 -0.35 0
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434491 135175038 1 FPSO4N6C9H14 ABCD4E6F9G14 -220.31 3.39 -9.36 -0.86 0
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434492 135175039 1 P2S2N10O10C21H28 A2B2C10D10E21F28 -460.29 12.21 -8.88 -0.71 0
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434493 135175040 1 P2S2N10O10C21H26 A2B2C10D10E21F26 -418.35 8.86 -8.75 -0.73 0
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434494 135175041 1 ClO5N8C43H59 AB5C8D43E59 -156.59 3.99 -8.46 -0.5 1
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434496 135175043 1 P2S2O9N10C21H28 A2B2C9D10E21F28 -405.8 8.91 -8.83 -0.83 0
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434497 135175044 1 ISO8C14H27 ABC8D14E27 -331.08 1.71 -9.18 -2.5 0
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434498 135175054 1 N7O8C38H39 A7B8C38D39 -173.34 9.76 -8.99 -1.52 0
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434499 135175058 1 ClFO6N7C37H49 ABC6D7E37F49 -249.29 8.2 -8.52 -1.05 0
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434500 135175060 1 O4N5C29H35 A4B5C29D35 -105.95 10.69 -9.09 -0.44 0
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434501 135175061 1 S2N8O9C55H62 A2B8C9D55E62 -238.84 5.15 -9.27 -0.86 0
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434502 135175065 1 NO2C13H23 AB2C13D23 -110.62 2.61 -8.97 0.65 0
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434503 135175066 1 NO2C13H23 AB2C13D23 -109.31 4.22 -9.0 0.49 0
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434504 135175076 1 ClN8C23H31 AB8C23D31 71.97 6.94 -8.44 -0.57 0
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434505 135175089 1 O7N13C48H61 A7B13C48D61 -163.31 6.99 -8.03 -1.4 0
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434506 135175090 1 N3O10C26H39 A3B10C26D39 -393.95 6.2 -8.92 -0.96 0
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434507 135175092 1 N5O5C27H41 A5B5C27D41 -203.19 4.68 -8.35 0.05 0
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434508 135175093 1 FN7O8C52H70 AB7C8D52E70 -342.47 3.78 -8.35 -0.59 0
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434509 135175095 1 ClFN6O13C52H54 ABC6D13E52F54 -444.96 9.63 -8.64 -1.16 0
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434510 135175096 1 O3N5C27H33 A3B5C27D33 -44.55 4.24 -8.98 -0.85 0
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434511 135175106 1 ClN3O9C27H34 AB3C9D27E34 -297.12 4.87 -8.77 -1.08 0
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434512 135175107 1 SN4O5C26H36 AB4C5D26E36 -198.67 4.81 -8.65 -0.64 0
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434513 135175108 1 BrSF2N3O6C31H40 ABC2D3E6F31G40 -347.68 5.78 -9.68 -0.7 0
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434514 135175110 1 BrSF2N3O4C26H32 ABC2D3E4F26G32 -228.88 5.74 -9.29 -0.81 0
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434515 135175112 2 NOC8H12 ABC8D12 -74.19 3.41 -9.01 -0.01 0
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434516 135175117 1 FNO2C16H22 ABC2D16E22 -114.6 1.93 -9.08 -0.7 0
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434517 135175120 1 ClSO5N10C55H61 ABC5D10E55F61 -64.67 7.91 -8.42 -0.75 0
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434518 135175121 1 O4C17H26 A4B17C26 -193.95 7.31 -9.78 -0.11 0
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434519 135175122 1 SN4O4C19H24 AB4C4D19E24 -116.57 8.13 -8.73 -1.0 0
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434520 135175123 1 SO8N11C56H73 AB8C11D56E73 -234.72 9.6 -8.46 -0.6 0
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434521 135175124 1 SO7N11C56H73 AB7C11D56E73 -195.56 6.65 -8.41 -0.79 0
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434522 135175125 1 O4N9C32H53 A4B9C32D53 -132.43 8.02 -8.31 -0.27 0
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434523 135175126 1 ON4C33H52 AB4C33D52 -54.76 1.6 -7.94 0.07 0
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434524 135175127 1 O2N3C24H35 A2B3C24D35 -45.83 3.29 -8.73 -0.08 0
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434525 135175133 1 O3C16H24 A3B16C24 -127.01 0.57 -8.74 0.5 0
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434526 135175134 1 SO3N4C25H32 AB3C4D25E32 -89.51 8.38 -8.87 -0.58 0
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434527 135175135 1 N3O8C23H45 A3B8C23D45 -384.22 0.9 -9.82 1.04 0
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434528 135175136 1 N2O4C9H18 A2B4C9D18 -151.93 3.3 -9.49 0.36 0
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434529 135175137 1 N3O7C18H37 A3B7C18D37 -331.65 10.14 -9.04 1.0 0
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434530 135175138 1 O2N3C24H47 A2B3C24D47 -134.35 1.74 -8.07 2.27 0
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434531 135175139 2 NO3C9H18 AB3C9D18 -297.54 7.41 -9.49 1.27 0
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434532 135175140 1 N6O7C36H48 A6B7C36D48 -254.53 8.14 -8.33 -0.98 0
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434533 135175141 1 ClSF2N3O6C32H42 ABC2D3E6F32G42 -374.38 6.23 -9.6 -0.64 0
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434534 135175142 1 F2S2O7N9C48H57 A2B2C7D9E48F57 -297.93 3.33 -9.24 -1.2 0
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434535 135175143 1 ClNO3C7H12 ABC3D7E12 -144.03 1.67 -9.58 0.32 0
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434536 135175144 2 N2O2C12H25 A2B2C12D25 -189.68 1.3 -8.29 1.87 0
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434537 135175145 2 NO4C8H16 AB4C8D16 -335.22 5.74 -9.81 0.6 0
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434538 135175146 1 N2O11C22H44 A2B11C22D44 -473.03 9.13 -9.53 0.67 0
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434539 135175147 1 ON6C25H52 AB6C25D52 -66.64 1.61 -8.22 1.96 0
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434540 135175148 1 O4N9C37H57 A4B9C37D57 -123.47 7.21 -8.31 -0.48 0
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434541 135175149 1 ClO2N4H19C22 AB2C4D19E22 1.99 5.26 -8.59 -1.01 0
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434542 135175150 1 N4O4C27H42 A4B4C27D42 -196.85 5.14 -9.44 -0.48 0
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434543 135175151 1 NC11H17 AB11C17 57.16 1.7 -8.68 0.24 0
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434544 135175152 1 ClFSN7O10C58H65 ABCD7E10F58G65 -302.72 3.55 -8.63 -1.19 0
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434545 135175159 1 BrSN4O4C28H31 ABC4D4E28F31 -106.08 2.08 -9.05 -1.33 0
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434546 135175161 1 N5O6C25H33 A5B6C25D33 -258.2 8.43 -9.16 -1.42 0
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434547 135175163 1 FNO2C11H12 ABC2D11E12 13.34 3.37 -9.0 -0.88 0
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434548 135175168 1 ClSF2O3N5C29H34 ABC2D3E5F29G34 -170.36 5.71 -9.28 -0.78 0
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434549 135175169 1 ClSN2O2C13H15 ABC2D2E13F15 -43.65 7.9 -9.64 -1.2 0
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434550 135175172 1 ClSF2O3N5C29H34 ABC2D3E5F29G34 -162.73 5.24 -9.31 -0.85 0
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434551 135175173 1 NO3C13H29 AB3C13D29 -157.78 0.65 -9.13 1.31 0
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434552 135175174 1 FNO3C14H20 ABC3D14E20 -135.88 1.94 -9.55 -0.66 0
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434553 135175185 1 BrSF2N2O4C30H33 ABC2D2E4F30G33 -212.95 6.19 -9.03 -1.0 0
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434554 135175188 1 IF2N3O13C53H68 AB2C3D13E53F68 -585.9 5.62 -8.32 -0.77 0
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434555 135175189 1 ClFN5O5C34H45 ABC5D5E34F45 -191.95 8.95 -8.51 -0.97 0
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434556 135175190 1 ClFO2N5H19C20 ABC2D5E19F20 -38.65 9.99 -8.54 -1.03 0
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434557 135175191 1 F2N3O9C40H45 A2B3C9D40E45 -379.03 3.75 -8.41 -0.76 0
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434558 135175204 1 F2N2O3C30H38 A2B2C3D30E38 -217.64 2.6 -9.25 0.0 0
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434559 135175205 1 ClSF2N3O5C30H34 ABC2D3E5F30G34 -266.48 8.52 -9.05 -1.0 0
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434560 135175210 1 BrClSF2N4O4H26C27 ABCD2E4F4G26H27 -93.65 9.71 -9.59 -1.14 0
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434561 135175214 1 BrSF2O3N5C24H32 ABC2D3E5F24G32 -159.62 4.55 -9.04 -0.82 0
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434562 135175215 1 BrSF2O3N5C29H34 ABC2D3E5F29G34 -151.28 9.26 -9.27 -0.98 0
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434563 135175230 1 ClSF2N3O7C37H46 ABC2D3E7F37G46 -398.5 12.25 -8.6 -1.13 0
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434564 135175232 1 N3O3F5C22H28 A3B3C5D22E28 -406.9 5.3 -9.87 -0.94 0
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434565 135175237 1 BrSF2N3O6C37H44 ABC2D3E6F37G44 -326.01 2.66 -8.77 -0.74 0
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434566 135175239 1 BrSF2N3O4C32H36 ABC2D3E4F32G36 -210.3 10.68 -9.16 -1.14 0
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434567 135175240 1 BrSF2N3O6C36H42 ABC2D3E6F36G42 -332.45 6.81 -9.19 -1.19 0
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434568 135175241 1 BrSF2N3O4C32H36 ABC2D3E4F32G36 -215.54 8.12 -8.98 -0.84 0
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434569 135175242 1 BrSF2N3O4C30H34 ABC2D3E4F30G34 -211.67 6.18 -9.14 -0.93 0
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434570 135175243 1 BrSF2N3O6C35H42 ABC2D3E6F35G42 -328.92 10.91 -9.27 -1.09 0
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434571 135175244 1 BrSF2N3O4C30H34 ABC2D3E4F30G34 -213.3 10.26 -8.95 -0.66 0
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434572 135175247 1 O5N11C40H51 A5B11C40D51 -122.25 9.17 -8.51 -1.42 0
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434573 135175248 1 BrSF2N3O6C35H42 ABC2D3E6F35G42 -338.27 4.05 -9.1 -1.07 0