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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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314500 126621944 1 BrH15C19 AB15C19 55.41 2.22 -8.62 -0.88 0
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314501 126621945 1 BrH11C17 AB11C17 66.57 2.05 -8.65 -0.91 0
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314502 126621946 1 SN3H19C29 AB3C19D29 146.0 3.31 -8.2 -0.85 0
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314503 126621947 1 NOH21C22 ABC21D22 22.65 2.17 -8.07 -0.42 0
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314504 126621993 1 SN2O2C21H26 AB2C2D21E26 -53.22 5.57 -8.64 -0.62 0
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314505 126621996 1 SO2N5C18H19 AB2C5D18E19 20.91 9.39 -8.93 -0.88 0
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314506 126621997 1 BrN2O3C17H17 AB2C3D17E17 -59.9 8.25 -8.69 -0.82 0
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314507 126621998 1 ON3C21H25 AB3C21D25 -5.1 5.36 -8.26 -0.27 0
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314508 126621999 1 SN3O3C12H17 AB3C3D12E17 -105.26 5.18 -8.85 -0.33 0
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314509 126622000 1 SO2N4C19H20 AB2C4D19E20 0.11 8.17 -8.6 -0.55 0
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314510 126622001 1 SO2N3C18H23 AB2C3D18E23 -44.94 7.58 -8.71 -0.45 0
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314511 126622002 1 ON3C15H23 AB3C15D23 -18.6 2.04 -7.86 0.24 0
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314512 126622003 1 FSN3O3C16H16 ABC3D3E16F16 -111.83 7.83 -8.7 -1.05 0
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314513 126622011 1 O2N3C17H19 A2B3C17D19 -36.68 6.91 -8.42 -0.38 0
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314514 126622012 1 SO2N4C18H20 AB2C4D18E20 -5.59 6.21 -8.56 -0.23 0
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314515 126622014 1 SO2N6C17H18 AB2C6D17E18 32.87 8.48 -8.99 -1.11 0
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314516 126622015 2 ON2C8H9 AB2C8D9 -9.98 6.0 -8.59 -0.64 0
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314517 126622016 1 SO3N4C19H22 AB3C4D19E22 -79.94 5.29 -8.69 -0.6 0
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314518 126622020 1 FSO2N3C20H24 ABC2D3E20F24 -83.47 6.33 -8.77 -0.69 0
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314519 126622021 1 SN2O3C16H18 AB2C3D16E18 -70.55 8.14 -8.76 -0.34 0
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314520 126622022 1 F2N2C17H18 A2B2C17D18 -51.77 2.16 -8.45 -0.05 0
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314521 126622023 1 ON2C18H20 AB2C18D20 -3.56 4.16 -8.8 -0.42 0
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314522 126622026 1 SO2N4C15H18 AB2C4D15E18 -14.89 7.76 -8.81 -0.57 0
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314523 126622029 1 SCl2O2N3C16H17 AB2C2D3E16F17 -47.51 7.99 -9.02 -0.63 0
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314524 126622032 1 O2S2N3C19H21 A2B2C3D19E21 -20.85 6.99 -8.13 -0.44 0
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314525 126622036 1 SO2N5C18H19 AB2C5D18E19 21.27 9.27 -8.8 -0.95 0
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314526 126622037 1 SO2N6C16H18 AB2C6D16E18 37.64 6.0 -8.89 -0.87 0
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314527 126622041 1 SN3O3C15H17 AB3C3D15E17 -65.71 6.24 -8.9 -0.86 0
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314528 126622043 1 SN3O4C21H27 AB3C4D21E27 -142.99 8.04 -8.6 -0.54 0
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314529 126622060 1 BrSN2O4C30H39 ABC2D4E30F39 -57.29 53.27 -4.92 -2.39 1
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314530 126622061 1 SN2O4C30H39 AB2C4D30E39 -87.65 8.07 0.0 0.0 0
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314531 126622064 1 BrSN2O4C27H33 ABC2D4E27F33 -86.59 15.31 -8.1 -1.12 0
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314532 126622067 1 SO6C13H18 AB6C13D18 -235.5 6.26 -10.0 -0.9 -1
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314533 126622069 1 BrSN2O4C27H32 ABC2D4E27F32 -58.87 10.88 0.0 0.0 1
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314534 126622070 1 SN2O4C27H33 AB2C4D27E33 -55.52 4.84 0.0 0.0 -1
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314535 126622071 1 BrSN2O4C30H38 ABC2D4E30F38 -51.81 18.68 0.0 0.0 0
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314536 126622082 1 FON2C12H15 ABC2D12E15 -91.88 5.83 -8.36 -0.23 1
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314537 126622084 1 NO4C7H16 AB4C7D16 -156.24 6.3 0.0 0.0 1
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314538 126622085 1 NO4C7H16 AB4C7D16 -149.31 3.42 0.0 0.0 0
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314539 126622087 1 ON2C13H14 AB2C13D14 -12.36 6.34 -9.31 -0.91 0
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314540 126622088 1 ON3C13H15 AB3C13D15 -13.39 7.4 -8.58 -0.9 0
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314541 126622089 1 FNOC12H14 ABCD12E14 -83.5 3.32 -8.8 -0.29 0
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314542 126622093 1 BrFNOC12H13 ABCDE12F13 -88.43 2.45 -9.17 -0.74 0
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314543 126622094 1 FNOC12H14 ABCD12E14 -89.29 4.19 -9.01 -0.37 0
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314544 126622095 1 FSN2O3C20H23 ABC2D3E20F23 -152.37 6.55 -8.93 -0.61 0
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314545 126622100 1 FN4O5H17C18 AB4C5D17E18 -97.13 8.05 -9.33 -2.15 0
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314546 126622101 1 ClON3H6C10 ABC3D6E10 54.52 3.51 -9.63 -1.91 0
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314547 126622109 1 N3O3H15C17 A3B3C15D17 -20.14 5.44 -9.07 -1.45 0
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314548 126622112 1 O4N5C22H25 A4B5C22D25 -98.97 5.13 -8.7 -1.04 0
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314549 126622113 1 FN3O3H16C18 AB3C3D16E18 -69.26 7.24 -8.94 -1.35 0