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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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425617 135127011 2 O8C23H37 A8B23C37 -763.11 4.18 -9.24 0.24 0
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425618 135127015 1 FNO2P2C5H10 ABC2D2E5F10 -139.64 2.4 -9.64 0.12 0
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425619 135127018 1 FNPO2C5H9 ABCD2E5F9 -134.07 4.24 -10.04 0.17 0
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425620 135127020 1 N3C8H21 A3B8C21 -10.97 3.08 -8.54 2.6 0
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425621 135127021 1 Cl2N2C13H18 A2B2C13D18 1.62 2.43 -9.57 -0.55 0
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425622 135127023 1 N6O8C29H42 A6B8C29D42 -311.0 3.13 -9.91 -0.83 0
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425623 135127024 1 NO5C22H41 AB5C22D41 -256.34 6.13 -9.54 0.88 0
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425624 135127026 1 NPO3C4H6 ABC3D4E6 -127.32 6.08 -10.32 -0.38 0
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425625 135127027 1 O2C21H22 A2B21C22 -5.78 1.52 -8.58 0.02 0
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425626 135127028 1 ClF3H12C15 AB3C12D15 -121.72 3.42 -9.5 -0.66 0
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425627 135127030 1 NO2C15H25 AB2C15D25 -93.42 2.83 -9.11 0.19 0
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425629 135127032 1 NO4C18H25 AB4C18D25 -189.48 4.16 -8.7 0.16 0
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425630 135127033 1 O6N7C26H37 A6B7C26D37 -212.72 1.5 -9.55 -0.74 0
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425631 135127034 1 NO5C13H27 AB5C13D27 -127.38 1.51 -9.12 0.19 1
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425632 135127035 1 NO5C27H38 AB5C27D38 -180.79 4.24 0.0 0.0 0
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425633 135127037 1 INO3C4H8 ABC3D4E8 -125.31 2.1 -9.59 -2.82 1
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425634 135127038 1 PO5C25H42 AB5C25D42 -251.15 16.7 0.0 0.0 0
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425635 135127046 2 N2O4C19H31 A2B4C19D31 -377.02 3.92 -8.93 -0.63 0
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425636 135127048 2 N2O3C16H30 A2B3C16D30 -330.16 6.62 -8.57 0.03 0
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425637 135127050 1 N3P3O4C13H18 A3B3C4D13E18 -167.84 8.14 -9.44 -0.38 0
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425638 135127051 1 N2O7C20H24 A2B7C20D24 -268.26 4.99 -8.8 -0.4 0
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425639 135127059 1 SO2N3C9H11 AB2C3D9E11 -20.56 3.22 -8.9 -1.16 0
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425640 135127102 1 FO4N5C14H16 AB4C5D14E16 -120.73 1.97 -9.8 -0.52 0
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425641 135127104 1 N5O6C31H59 A5B6C31D59 -340.15 3.1 -9.28 0.67 0
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425642 135127109 1 O4N5C30H57 A4B5C30D57 -254.81 9.44 -8.66 0.77 0
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425643 135127115 1 Cl2N3O3C26H33 A2B3C3D26E33 -112.4 1.59 -8.63 -0.4 0
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425644 135127116 1 FN3O6C17H18 AB3C6D17E18 -223.53 4.14 -9.01 -0.8 0
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425645 135127118 2 NOH4C5 ABC4D5 -10.85 3.92 -10.47 -1.12 0
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425646 135127119 1 N10O16C67H100 A10B16C67D100 -698.54 2.49 -9.01 -1.72 0
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425647 135127120 1 N8O11C39H60 A8B11C39D60 -494.27 5.98 -9.19 -0.75 0
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425648 135127121 1 N4O7C15H18 A4B7C15D18 -226.18 6.42 -9.06 -0.7 0
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425649 135127124 1 SO2N5C22H23 AB2C5D22E23 41.46 6.6 -8.76 -1.09 0
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425650 135127126 1 O2C21H38 A2B21C38 -148.79 4.96 -9.74 0.66 0
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425651 135127129 1 N12O23C180H280 A12B23C180D280 -1077.96 23.59 -8.36 -0.74 0
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425652 135127130 1 N4O5C23H38 A4B5C23D38 -220.27 5.69 -8.81 -0.15 0
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425653 135127164 2 S3H5N6C22 A3B5C6D22 635.29 3.34 -9.7 -2.79 0
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425654 135127191 1 S3N4H12C21 A3B4C12D21 234.23 6.16 -9.26 -2.08 0
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425655 135127199 1 F3N3O4C24H26 A3B3C4D24E26 -273.7 5.63 -8.79 -1.0 0
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425656 135127205 1 N3H21C25 A3B21C25 148.61 6.42 -9.29 -0.74 0
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425657 135127208 1 N3C19H21 A3B19C21 71.26 3.65 -8.06 -0.53 0
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425658 135127209 1 N3C19H21 A3B19C21 71.86 3.44 -8.01 -0.46 0
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425659 135127212 1 N2H24C27 A2B24C27 82.7 2.82 -8.72 -0.51 0
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425660 135127216 1 N2C25H26 A2B25C26 106.24 4.32 -8.78 -0.51 0
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425661 135127218 2 NC19H21 AB19C21 71.92 3.01 -8.57 -0.29 0
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425662 135127226 1 NSO2C17H17 ABC2D17E17 -21.6 7.07 -9.62 -0.63 0
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425663 135127228 1 S2N3O4C21H31 A2B3C4D21E31 -139.26 3.8 -8.8 -0.04 0
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425664 135127229 1 N3O6C23H23 A3B6C23D23 -92.66 3.51 -9.37 -0.57 0
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425665 135127264 1 SO4N8C33H34 AB4C8D33E34 16.48 7.49 -9.49 -1.06 0
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425666 135127265 1 O3N4C28H32 A3B4C28D32 -30.17 9.05 -8.18 -0.56 0
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425667 135127277 1 SN6O6C40H48 AB6C6D40E48 -143.27 8.72 -8.29 -0.65 0
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425668 135127295 1 F2N4O7H16C18 A2B4C7D16E18 -322.75 5.6 -9.71 -1.42 0
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425669 135127296 1 F2N4O6H18C19 A2B4C6D18E19 -298.31 4.33 -9.38 -1.24 0
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425670 135127297 1 N2O3F4C33H36 A2B3C4D33E36 -301.82 3.95 -8.91 -0.49 0
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425671 135127301 1 NS2O3C50H101 AB2C3D50E101 -362.27 1.88 -8.86 0.2 0
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425672 135127302 1 N2O4C41H80 A2B4C41D80 -358.18 1.53 -9.86 0.63 0
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425673 135127304 1 F2N3O7C19H19 A2B3C7D19E19 -340.53 6.62 -9.2 -1.05 0
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425674 135127307 1 O2N3C23H27 A2B3C23D27 -32.87 1.82 -8.52 -0.53 0
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425675 135127311 1 NO5C41H79 AB5C41D79 -396.41 4.62 -10.04 0.39 0
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425676 135127314 1 F2N3O6C20H21 A2B3C6D20E21 -314.71 7.95 -9.26 -1.08 0
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425677 135127316 1 F2N3O7H15C17 A2B3C7D15E17 -319.5 4.79 -9.5 -1.39 0
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425678 135127320 1 N3O6C52H105 A3B6C52D105 -487.69 6.39 -8.97 0.8 0
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425679 135127321 1 N3F4O7H13C17 A3B4C7D13E17 -430.26 3.08 -10.11 -1.61 0
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425680 135127323 1 O2N3C24H29 A2B3C24D29 -56.34 4.68 -8.64 -0.33 0
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425681 135127331 1 N2O7C54H106 A2B7C54D106 -541.52 1.97 -9.5 0.5 0
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425682 135127358 1 NC27H55 AB27C55 -108.64 1.1 -8.37 2.83 0
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425683 135127360 1 N2O7C47H92 A2B7C47D92 -497.71 8.05 -9.67 0.62 0
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425684 135127393 1 FN3O4H20C22 AB3C4D20E22 -138.94 1.92 -8.89 -0.41 0
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425685 135127394 1 N3O5C24H25 A3B5C24D25 -148.98 4.84 -8.8 -0.28 0
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425686 135127395 1 F3N3O4H14C17 A3B3C4D14E17 -252.75 3.91 -9.84 -0.66 0
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425687 135127396 1 FO3N4H17C21 AB3C4D17E21 -48.92 1.37 -9.54 -0.78 0
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425688 135127400 1 F3N3O3H14C16 A3B3C3D14E16 -222.58 3.02 -9.28 -0.94 0
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425689 135127401 1 N3O4C17H17 A3B4C17D17 -120.27 5.04 -9.17 -0.67 0
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425690 135127402 1 NSC10H21 ABC10D21 -21.24 1.21 -8.11 0.54 0
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425691 135127403 1 NH23C35 AB23C35 138.87 1.28 -8.09 -0.84 0
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425692 135127406 1 O3N4C21H22 A3B4C21D22 15.41 2.73 -8.88 -0.53 0