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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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309504 126546683 1 SN4C11H20 AB4C11D20 27.69 3.42 -9.02 -0.71 0
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309505 126546698 1 O6N19C24H39 A6B19C24D39 -141.57 5.33 -9.51 -0.32 0
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309506 126546699 1 O2N6C9H16 A2B6C9D16 -53.76 4.02 -9.54 -0.2 0
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309507 126546727 2 O2C11H12 A2B11C12 -119.1 2.96 -8.76 0.16 0
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309508 126546729 1 O7C21H24 A7B21C24 -228.87 4.08 -8.23 -0.52 0
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309509 126546732 1 F2O4C21H28 A2B4C21D28 -281.65 4.61 -9.06 -0.38 0
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309510 126546747 1 FNO5C21H24 ABC5D21E24 -214.86 7.95 -8.69 -0.28 0
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309511 126546759 1 NF2O3C19H23 AB2C3D19E23 -194.05 5.26 -8.58 -0.22 0
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309512 126546760 1 ON2S2C10H14 AB2C2D10E14 -17.99 2.23 -8.61 -0.73 0
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309513 126546775 1 F2O6C21H22 A2B6C21D22 -288.41 4.85 -9.25 -0.76 0
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309514 126546780 2 FO3C10H11 AB3C10D11 -310.05 5.3 -9.14 -0.7 0
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309515 126546782 1 FO5C18H25 AB5C18D25 -267.54 1.82 -8.51 -0.16 0
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309516 126546795 1 FO5C28H29 AB5C28D29 -151.97 3.91 -8.59 -0.37 0
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309517 126546798 1 ClSN12O12C61H63 ABC12D12E61F63 -365.46 4.18 -8.27 -1.6 0
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309518 126546830 1 O2N5C21H31 A2B5C21D31 -24.49 2.19 -8.98 -0.21 0
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309519 126546846 1 FO5C25H25 AB5C25D25 -170.78 4.18 -8.64 -0.49 0
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309520 126546847 1 FO4C21H23 AB4C21D23 -144.63 4.69 -9.01 -0.45 0
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309521 126546857 1 F2O3C21H28 A2B3C21D28 -226.26 2.48 -8.88 -0.22 0
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309522 126546861 2 FO2C12H14 AB2C12D14 -245.36 1.7 -9.02 -0.28 0
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309523 126546862 1 F2O3C24H26 A2B3C24D26 -180.28 1.48 -8.98 -0.26 0
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309524 126546882 1 F2O4H22C23 A2B4C22D23 -197.74 5.39 -9.23 -0.49 0
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309525 126546899 1 NO5C22H27 AB5C22D27 -168.62 5.56 -9.24 -0.53 0
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309526 126547005 2 SN4O5C16H19 AB4C5D16E19 -229.69 15.07 -8.05 -1.37 0
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309527 126547034 1 SF2O3C17H18 AB2C3D17E18 -188.73 5.94 -8.9 -0.84 0
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309528 126547059 1 O4F11C20H25 A4B11C20D25 -756.96 2.66 -10.91 -0.76 0
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309529 126547069 1 NOC20H39 ABC20D39 -98.56 1.87 -8.98 1.54 1
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309530 126547074 1 ClSN3O9C47H53 ABC3D9E47F53 -237.33 10.69 0.0 0.0 0
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309531 126547104 1 SO3N5C25H45 AB3C5D25E45 -129.25 4.64 -8.63 -0.39 0
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309532 126547105 1 O3N5C23H41 A3B5C23D41 -132.34 2.7 -8.89 -0.38 1
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309533 126547153 1 S2N8O14C70H79 A2B8C14D70E79 -322.11 19.96 0.0 0.0 0
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309534 126547186 1 NC11H19 AB11C19 -17.28 2.06 -8.38 1.34 0
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309535 126547189 1 BrClSN2C17H18 ABCD2E17F18 37.15 4.55 -8.52 -0.42 0
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309536 126547250 1 FN3O3H16C17 AB3C3D16E17 -95.4 4.28 -8.89 -1.12 0
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309537 126547255 1 N8O8C47H58 A8B8C47D58 -261.39 6.59 -8.76 -0.6 0
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309538 126547372 2 NO2C6H7 AB2C6D7 -66.27 1.83 -9.1 -0.68 0
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309539 126547382 1 NC21H27 AB21C27 52.39 2.81 -7.89 -0.21 0
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309540 126547484 1 NO7C20H33 AB7C20D33 -315.27 5.61 -9.88 -0.48 0
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309541 126547515 1 NO4C14H17 AB4C14D17 -98.33 2.85 -9.21 -0.45 0
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309542 126547578 1 OSN4C24H30 ABC4D24E30 56.17 5.1 -8.68 -0.46 0
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309543 126547630 1 NO2C7H11 AB2C7D11 -63.71 1.96 -10.34 -0.88 0
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309544 126547644 1 SN2C7O7H8 AB2C7D7E8 -110.28 5.58 -11.12 -2.24 0
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309545 126547697 1 SN2O7C29H38 AB2C7D29E38 -296.18 6.64 -8.61 -1.38 0
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309552 126548031 1 N3H45C73 A3B45C73 325.33 4.18 -8.48 -1.09 0
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309553 126548127 1 O4C27H28 A4B27C28 -83.0 0.64 -8.85 -0.23 0
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309556 126548235 2 NC10H21 AB10C21 -47.14 1.69 -7.97 2.46 0
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309557 126548377 1 F6O8C29H46 A6B8C29D46 -742.15 4.85 -10.68 -0.14 0
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309558 126548468 1 ClSN2O5C33H43 ABC2D5E33F43 -170.5 9.56 -8.01 -0.44 0
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309559 126548517 1 ClSN2O5C35H47 ABC2D5E35F47 -158.46 3.13 -9.27 -0.72 0
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309560 126548615 1 O2F3C16H21 A2B3C16D21 -246.58 4.08 -10.62 -0.13 0
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309561 126548633 1 NH43C58 AB43C58 223.06 2.19 -7.96 -0.53 0