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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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389585 134993897 1 OC11H18 AB11C18 -50.97 2.28 -9.62 1.28 0
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389586 134993899 1 C11H18 A11B18 -6.82 0.48 -9.77 3.63 0
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389587 134993901 2 C7H8 A7B8 127.5 0.2 -9.54 1.79 0
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389588 134993903 12 CH AB 151.7 0.95 -9.52 0.67 0
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389589 134993905 14 CH2 AB2 -52.34 0.36 -9.52 1.4 0
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389590 134993921 1 IPO2C8H18 ABC2D8E18 -148.1 4.93 -8.63 0.34 0
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389591 134993922 1 PBr2C6H15 AB2C6D15 -61.84 5.69 -9.01 -0.6 0
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389592 134993932 2 OC5H8 AB5C8 -99.01 1.83 -9.7 0.85 0
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389593 134993933 1 OSiC12H22 ABC12D22 -74.13 1.11 -8.36 0.97 0
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389595 134993935 3 C3H4 A3B4 52.78 0.41 -10.0 2.28 0
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389596 134993946 18 CH AB 49.9 0.81 -9.2 0.36 0
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389597 134993957 1 SSiO2C13H18 ABC2D13E18 -60.41 5.37 -9.24 -0.41 0
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389598 134993960 1 NaO2C7H11 AB2C7D11 -107.75 6.78 -7.24 0.73 0
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389599 134993963 1 N2O2C9H12 A2B2C9D12 -45.65 4.91 -9.46 -0.74 0
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389600 134993967 1 IOPC15H28 ABCD15E28 -107.22 4.93 -8.09 0.28 0
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389601 134993968 1 BrClPC9H19 ABCD9E19 -82.09 5.61 -8.8 -0.32 0
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389602 134993982 1 N2C7H14 A2B7C14 -1.89 3.57 -9.16 3.21 0
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389603 134993983 1 BrN2C9H15 AB2C9D15 -5.64 5.5 -9.48 -0.1 0
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389604 134993985 1 NPO3C9H20 ABC3D9E20 -190.7 3.57 -9.62 0.9 0
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389605 134993989 1 TeN2C6H8 AB2C6D8 54.24 3.93 -8.72 -0.18 0
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389606 134993990 2 NC8H13 AB8C13 32.65 1.18 -8.35 1.09 0
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389607 134993996 1 NO3C14H21 AB3C14D21 -106.39 3.7 -8.92 0.32 0
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389608 134993997 1 OTeC9H12 ABC9D12 -24.17 0.86 -8.03 0.18 0
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389609 134994002 1 NS2C10H13 AB2C10D13 58.05 5.43 -7.7 0.0 0
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389610 134994031 1 ClTeI3C6H10 ABC3D6E10 -13.29 2.6 -8.71 -3.19 0
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389611 134994034 1 N2C13H30 A2B13C30 -33.47 1.99 -8.32 2.82 0
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389612 134994043 1 NC12H15 AB12C15 119.49 1.53 -8.97 0.93 0
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389613 134994045 1 NC8H15 AB8C15 19.37 2.17 -8.96 1.25 0
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389614 134994052 1 SeO2Br4C4H8 AB2C4D4E8 -124.55 2.17 -10.22 -2.22 0
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389615 134994073 1 NO3C9H19 AB3C9D19 -139.27 4.83 -10.18 0.65 0
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389616 134994074 1 ClNOC12H20 ABCD12E20 -20.87 3.19 -9.16 -0.74 -1
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389617 134994083 1 FeNO6H9C10 ABC6D9E10 -21.05 4.49 -7.45 -0.55 0
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389618 134994089 1 PSO4C10H23 ABC4D10E23 -248.64 4.08 -8.37 0.71 0
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389619 134994104 1 OTeCl3C9H17 ABC3D9E17 -134.73 4.76 -9.73 -2.5 0
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389620 134994138 1 OSCl2C14H16 ABC2D14E16 -49.59 5.23 -9.35 -1.84 0
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389621 134994160 1 NO2C10H17 AB2C10D17 -23.75 4.56 -10.55 -0.42 0
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389622 134994163 1 NO3C6H9 AB3C6D9 -79.44 2.34 -9.71 -0.33 0
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389623 134994165 1 NSO3C13H17 ABC3D13E17 -83.22 3.74 -9.44 -0.01 0
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389624 134994171 2 NOC4H6 ABC4D6 -39.41 5.9 -10.81 -0.18 0
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389625 134994184 1 ClNSiO3C6H16 ABCD3E6F16 -214.89 4.85 -10.2 0.31 0
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389626 134994186 1 NC10H19 AB10C19 10.02 2.02 -8.92 1.22 0
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389627 134994187 1 NC11H21 AB11C21 4.56 1.53 -8.93 1.05 0
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389628 134994188 1 NC13H25 AB13C25 -4.0 2.12 -8.95 1.22 0
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389629 134994193 1 SeC9H14 AB9C14 6.85 1.76 -8.17 0.31 0
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389630 134994195 1 OSSiC15H24 ABCD15E24 -70.12 1.53 -8.85 -0.57 0
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389631 134994196 1 HSC3O3F5 ABC3D3E5 -349.67 1.68 -11.64 -1.53 0
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389632 134994198 1 RuS3C16H26 AB3C16D26 59.72 17.26 -7.34 -3.81 0
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389633 134994199 1 SN2O2C13H18 AB2C2D13E18 15.36 13.99 -8.37 -0.54 0
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389634 134994203 1 NWO6C9H9 ABC6D9E9 77.44 10.09 -6.98 -0.4 0
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389635 134994209 1 N2O5C9H10 A2B5C9D10 -107.32 5.03 -10.14 -1.25 0
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389636 134994212 1 N2O3C11H16 A2B3C11D16 -81.24 1.89 -9.69 -0.09 0
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389637 134994216 1 ON2C13H14 AB2C13D14 19.07 5.84 -9.8 -0.18 0
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389638 134994220 1 NSC11H15 ABC11D15 65.35 1.08 -8.93 -0.16 0
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389639 134994222 1 NO3C12H15 AB3C12D15 -74.12 8.93 -10.23 -0.74 0
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389640 134994224 1 NOSC12H23 ABCD12E23 -44.99 2.51 -8.22 0.66 0
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389641 134994226 1 SO2C13H26 AB2C13D26 -132.69 3.15 -8.52 0.45 0
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389642 134994234 1 NO2C15H25 AB2C15D25 -52.85 1.85 -9.27 0.25 0
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389643 134994235 1 OS2C6H14 AB2C6D14 -60.33 2.89 -8.32 -0.59 0
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389644 134994238 1 NC12H23 AB12C23 -20.39 1.9 -8.94 1.13 0
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389645 134994241 1 TeO2Cl4C12H14 AB2C4D12E14 -165.34 9.2 -9.46 -2.14 0
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389646 134994243 1 TeO2Cl4C9H14 AB2C4D9E14 -188.18 9.18 -9.42 -2.06 0
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389647 134994254 1 INO2C5H14 ABC2D5E14 -56.04 10.71 -7.62 -1.29 0
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389648 134994255 1 N2O3C7H18 A2B3C7D18 -86.09 1.8 -9.87 1.14 0
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389649 134994256 1 NO2C12H15 AB2C12D15 -14.49 4.0 -8.98 0.3 0
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389650 134994257 2 NOF3C4H5 ABC3D4E5 -311.0 6.28 -9.57 -1.03 -1
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389651 134994277 1 MoSF3O3H5C9 ABC3D3E5F9 -217.93 5.73 -8.78 -1.09 0
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389652 134994279 1 IOSC8H17 ABCD8E17 -49.73 6.49 -8.35 -0.43 0
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389653 134994298 1 SN2O3C7H10 AB2C3D7E10 -96.79 2.91 -9.38 -0.58 0
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389654 134994302 1 FNSC13H18 ABCD13E18 -19.09 7.83 -7.61 0.34 0
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389655 134994304 1 FeSeO2F5H5C9 ABC2D5E5F9 -172.99 2.32 -8.37 -1.37 0
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389656 134994306 1 BiSe2Br3C5H12 AB2C3D5E12 -33.79 4.23 -8.05 -1.87 0
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389657 134994307 1 NO4C11H21 AB4C11D21 -177.19 4.77 -9.74 0.65 0
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389658 134994318 1 SN2O4C10H10 AB2C4D10E10 -7.55 4.44 -10.55 -1.92 0
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389659 134994336 1 N3O4C6H9 A3B4C6D9 -61.11 4.22 -10.91 -1.23 0
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389660 134994338 1 N2C11H20 A2B11C20 -4.26 4.13 -8.63 1.34 0
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389661 134994343 1 BrTeC10H13 ABC10D13 17.65 6.99 -8.01 -0.82 0
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389662 134994351 1 PSC6F6H13 ABC6D6E13 -467.85 14.75 -10.59 -1.12 0
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389663 134994352 1 FeO2P2Se2C10H24 AB2C2D2E10F24 -81.04 7.2 -7.81 -0.55 0
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389664 134994353 1 SeO2C9H16 AB2C9D16 -113.88 3.49 -8.32 0.26 0
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389665 134994356 1 TeC2I2F6 AB2C2D6 -298.98 1.96 -9.95 -3.47 0
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389666 134994368 1 NSO2C14H17 ABC2D14E17 -8.23 3.38 -9.39 0.31 0
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389667 134994372 1 NOSC13H25 ABCD13E25 -32.21 3.08 -8.29 0.57 0
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389668 134994373 1 BNO2F4C9H18 ABC2D4E9F18 -439.62 16.68 -11.71 -1.31 0
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389669 134994375 1 PSeC4H5F6 ABC4D5E6 -313.66 3.69 -9.56 -0.97 0
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389670 134994387 1 NO3C14H19 AB3C14D19 -108.77 2.79 -9.24 -0.33 0
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389671 134994392 1 SO3C9H18 AB3C9D18 -153.75 5.85 -11.08 -0.04 0
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389672 134994399 1 BiSe2Cl3C5H12 AB2C3D5E12 -66.62 4.31 -8.3 -2.27 0
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389673 134994408 1 NO3C15H23 AB3C15D23 -110.63 4.92 -9.74 0.0 0
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389674 134994409 1 ClNOSC10H12 ABCDE10F12 20.24 3.65 -9.19 -0.69 0
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389675 134994410 1 NO2C9H17 AB2C9D17 -48.44 4.34 -10.81 -0.36 0
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389676 134994411 1 NO2C8H11 AB2C8D11 9.78 4.45 -10.27 -0.42 0
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389677 134994419 1 ITeC7H17 ABC7D17 -14.83 9.05 -7.65 -0.58 0
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389678 134994420 1 Te2C11H24 A2B11C24 -30.53 0.94 -7.78 0.46 0
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389679 134994430 1 S2O3C8H16 A2B3C8D16 -148.1 2.32 -8.3 -0.69 0
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389680 134994436 1 NOC14H21 ABC14D21 -31.86 2.24 -8.53 0.35 0
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389681 134994437 1 ClNO2C8H10 ABC2D8E10 -98.03 3.85 -10.33 -0.63 0
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389682 134994438 1 NOSC12H15 ABCD12E15 -17.85 3.59 -9.43 -0.8 0
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389683 134994439 2 ON2C3H5 AB2C3D5 -55.43 5.43 -9.57 0.52 0
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389684 134994440 1 NC10H19 AB10C19 13.58 2.1 -8.91 1.24 0
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389685 134994441 1 NC10H21 AB10C21 -23.36 1.74 -9.15 1.06 0