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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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392502 135016983 1 SN2O2C17H24 AB2C2D17E24 -66.78 3.31 -8.77 -0.3 0
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392503 135016987 1 NO2C20H23 AB2C20D23 -46.75 1.64 -8.38 0.04 0
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392504 135016989 2 SiO2C16H21 AB2C16D21 -232.01 1.52 -8.41 -0.82 0
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392505 135016990 1 ClNPO4C18H21 ABCD4E18F21 -200.0 4.93 -8.49 -0.52 0
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392506 135016991 1 SeO2H22C26 AB2C22D26 22.61 1.69 -8.21 -0.07 0
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392507 135016992 1 SeF6H8C14 AB6C8D14 -275.19 1.92 -9.12 -0.98 0
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392508 135016993 1 NO2H15C19 AB2C15D19 68.58 4.92 -8.9 -1.03 0
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392509 135016994 1 NO2H17C20 AB2C17D20 58.69 4.82 -8.89 -1.03 0
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392510 135016995 2 FNO2C10H10 ABC2D10E10 -219.92 5.86 -9.88 -0.45 0
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392511 135016998 1 NO3H17C21 AB3C17D21 17.43 2.57 -9.03 -0.53 0
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392512 135016999 1 NO3H19C23 AB3C19D23 16.99 2.73 -8.99 -0.72 0
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392513 135017000 1 ClNO2S2C23H26 ABC2D2E23F26 -23.35 5.04 -9.09 -1.08 0
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392514 135017002 1 F3O7C12H15 A3B7C12D15 -484.99 6.45 -10.95 0.22 0
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392515 135017004 1 F2O3C5H8 A2B3C5D8 -236.79 2.46 -10.44 0.88 0
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392516 135017005 1 F2N3O10C33H35 A2B3C10D33E35 -460.21 5.24 -9.46 -0.96 0
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392517 135017006 1 F2N2O9C14H18 A2B2C9D14E18 -479.07 2.97 -10.22 -0.69 0
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392518 135017016 1 NH17C23 AB17C23 137.16 1.74 -8.3 -0.68 0
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392519 135017019 1 O5H18C20 A5B18C20 -148.37 3.18 -10.04 -0.92 0
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392520 135017020 1 BrN3O7C19H20 AB3C7D19E20 -231.25 4.12 -9.26 -0.74 0
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392521 135017028 1 NO2Si2C19H39 AB2C2D19E39 -170.72 1.06 -8.81 0.89 0
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392522 135017029 2 O3C8H10 A3B8C10 -209.78 4.86 -9.61 0.12 0
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392523 135017030 1 O7C13H20 A7B13C20 -318.31 5.83 -10.3 0.17 0
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392524 135017031 1 O7C10H16 A7B10C16 -312.4 6.36 -10.48 0.14 0
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392525 135017033 1 ClNOSC12H16 ABCDE12F16 -14.74 1.11 -8.26 0.07 0
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392526 135017045 1 ClNSO3H16C19 ABCD3E16F19 -67.36 1.77 -8.81 -0.77 0
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392527 135017046 1 NSO3C19H19 ABC3D19E19 -79.35 9.0 -9.3 -0.82 0
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392528 135017051 1 NO2H17C20 AB2C17D20 56.79 5.7 -8.82 -1.1 0
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392529 135017054 1 BrN3O9C22H24 AB3C9D22E24 -320.42 2.53 -9.16 -0.76 0
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392530 135017058 1 SN2O6C17H30 AB2C6D17E30 -312.2 6.41 -9.74 -0.53 0
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392531 135017060 1 N2O3C12H18 A2B3C12D18 -106.1 8.1 -9.17 -1.04 0
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392532 135017078 2 O2C11H11 A2B11C11 -43.69 4.47 -9.29 -1.38 0
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392533 135017101 1 NO4C14H17 AB4C14D17 -93.03 3.88 -9.77 -0.6 0
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392534 135017106 1 NS2O13C23H33 AB2C13D23E33 -573.51 5.06 -9.16 -0.88 0
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392535 135017112 1 O2C23H26 A2B23C26 -32.07 1.78 -9.18 -0.27 0
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392536 135017115 2 OC8H10 AB8C10 -75.86 3.8 -9.47 -0.2 0
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392537 135017116 1 OSC14H22 ABC14D22 -56.0 2.39 -8.86 0.02 1
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392538 135017117 1 O3N4H13C14 A3B4C13D14 -31.36 4.94 0.0 0.0 0
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392539 135017120 1 BrKNO4C19H27 ABCD4E19F27 -218.88 9.76 -7.3 0.04 0
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392540 135017121 1 BrNO4C19H28 ABC4D19E28 -181.02 3.57 -9.14 0.15 0
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392541 135017123 1 NSiO3C15H29 ABC3D15E29 -210.86 2.5 -8.79 0.29 0
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392542 135017124 2 FC6H6 AB6C6 -86.17 2.03 -9.01 -0.18 0
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392543 135017128 1 N2O4H20C25 A2B4C20D25 -67.99 3.76 -9.21 -0.88 0
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392544 135017129 1 N3O6H17C24 A3B6C17D24 -61.34 4.34 -9.62 -1.92 0
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392545 135017130 2 NO3H10C13 AB3C10D13 -141.15 2.38 -9.41 -1.42 0
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392546 135017131 1 BrN2O4H17C24 AB2C4D17E24 -55.11 1.01 -9.36 -1.24 0
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392547 135017132 1 FN2O4H17C24 AB2C4D17E24 -105.18 1.13 -9.36 -1.22 0
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392548 135017133 2 NO2H11C12 AB2C11D12 -96.55 2.7 -9.25 -0.52 0
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392549 135017134 1 FO4H13C15 AB4C13D15 -166.16 6.6 -9.55 -0.4 0
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392550 135017135 1 NO4C8H13 AB4C8D13 -102.25 4.16 -10.53 -0.52 -3
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392551 135017136 1 BiC3Y3H6 AB3C3D6 -517.08 5.17 -5.97 -1.92 0