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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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336963 127256118 1 BrN2O2H9C11 AB2C2D9E11 -15.19 4.71 -10.06 -1.53 0
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336964 127256529 1 SO10N16C40H62 AB10C16D40E62 -302.45 5.51 -7.42 -0.34 0
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336965 127256530 2 NOH6C9 ABC6D9 44.6 9.67 -7.65 -1.58 0
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336966 127256531 1 NaPSN2O8C9H12 ABCD2E8F9G12 -406.12 22.32 -8.88 -1.62 0
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336967 127256532 1 ClNSO5C6H8 ABCD5E6F8 -203.82 1.58 -8.55 -1.08 0
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336968 127256533 1 SN3O6C13H17 AB3C6D13E17 -225.6 3.93 -9.48 -1.76 0
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336969 127256534 1 OCl4H10C18 AB4C10D18 -0.02 2.58 -9.22 -0.88 0
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336970 127256535 1 PNa2N5O7C10H12 AB2C5D7E10F12 -421.81 20.85 -9.24 -0.43 0
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336971 127256536 1 PN2Na2O9C13H13 AB2C2D9E13F13 -522.74 5.43 -8.61 -0.06 0
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336972 127256537 1 PN2Na2O11C13H15 AB2C2D11E13F15 -624.73 21.23 -8.66 -1.57 0
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336973 127256538 1 PN2O11C13H17 AB2C11D13E17 -524.4 4.5 -10.61 -1.36 0
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336974 127256539 1 PN2Na2O10C13H15 AB2C2D10E13F15 -557.36 22.49 -8.45 -1.82 0
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336975 127256540 1 PN2O10C13H17 AB2C10D13E17 -462.25 5.24 -9.35 -0.74 0
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336976 127256541 1 PN2Na2O10C12H15 AB2C2D10E12F15 -591.88 14.38 -8.55 -0.68 0
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336977 127256542 1 PN2O10C12H17 AB2C10D12E17 -485.53 5.72 -9.78 -0.68 0
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336978 127256543 1 IPN2Na2O10C11H12 ABC2D2E10F11G12 -596.01 4.46 -8.75 -0.58 0
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336979 127256544 1 IPN2O10C11H14 ABC2D10E11F14 -460.52 5.17 -9.71 -1.6 0
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336980 127256545 1 BrPN2Na2O10C11H12 ABC2D2E10F11G12 -596.48 14.1 -8.85 -0.64 0
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336981 127256546 1 BrPN2O10C11H14 ABC2D10E11F14 -472.13 6.78 -9.78 -0.91 0
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336982 127256547 1 PN2Na2O9C13H17 AB2C2D9E13F17 -425.07 51.01 -7.31 -3.03 0
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336983 127256548 1 PN2Na2O9C13H15 AB2C2D9E13F15 -559.05 12.51 -9.27 -1.05 0
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336984 127256549 1 ON2C19H24 AB2C19D24 21.15 1.57 -8.61 0.24 0
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336985 127256550 1 SN4O4C19H20 AB4C4D19E20 -109.82 8.83 -8.67 -1.34 0
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336986 127256551 1 N3O8H21C22 A3B8C21D22 -116.44 9.19 -9.26 -1.98 0
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336987 127256552 2 ClH13C15 AB13C15 86.76 3.45 -9.38 0.0 0
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336988 127256553 1 I3N3O10C22H32 A3B3C10D22E32 -370.96 6.08 -9.06 -2.17 0
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336989 127256554 1 PN3C18H36 AB3C18D36 -14.81 1.12 -8.74 1.63 0
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336990 127256555 1 O2N4C23H46 A2B4C23D46 -137.11 3.69 -8.31 2.2 0
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336991 127256556 1 SO4C7N10H16 AB4C7D10E16 41.2 4.09 -8.9 -0.92 0
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336992 127256557 1 NCl2O5C7H9 AB2C5D7E9 -234.53 3.56 -11.03 -1.29 0
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336993 127256558 2 BrNO2C14H19 ABC2D14E19 -120.95 60.86 -6.81 -2.71 2
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336994 127256559 2 NO2C14H19 AB2C14D19 -75.33 2.83 -5.09 -0.1 0
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336995 127256560 1 O2Cl6H10C17 A2B6C10D17 -76.82 3.84 -9.73 -1.3 0
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336997 127256562 1 N2O3H14C16 A2B3C14D16 -92.19 7.66 -9.92 -1.86 0
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336998 127256563 1 OCl2H10C13 AB2C10D13 -9.92 2.17 -8.91 -0.45 0
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336999 127256564 1 O5C21H28 A5B21C28 -178.57 1.34 -8.44 -0.01 0
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337000 127256565 2 OC19H19 AB19C19 47.08 2.1 -8.57 -0.57 0
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337001 127256566 1 H22C23 A22B23 131.48 0.66 -8.59 -0.56 0
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337002 127256567 4 H5C6 A5B6 108.4 0.07 -8.52 -0.72 0
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337003 127256568 2 H11C12 A11B12 86.4 0.13 -8.76 -0.36 0
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337004 127256569 2 H11C14 A11B14 119.19 0.12 -8.8 -0.46 0
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337005 127256570 2 H11C14 A11B14 119.83 0.05 -8.74 -0.47 0
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337006 127256571 2 ClN3C7H17 AB3C7D17 -88.11 2.84 -9.38 1.05 0
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337007 127256572 1 O3H14C17 A3B14C17 -60.4 2.53 -8.68 -0.4 0
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337008 127256573 1 N2O8C23H24 A2B8C23D24 -287.67 5.67 -8.94 -0.77 0
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337009 127256574 1 NO3C13H17 AB3C13D17 -47.49 7.79 -10.28 -1.44 0
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337010 127256575 1 NF3O3H6C8 AB3C3D6E8 -180.71 9.27 -10.72 -1.99 0
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337011 127256576 1 NO2C11H19 AB2C11D19 -46.54 2.84 -10.91 -0.38 0
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337012 127256577 1 NO2C13H13 AB2C13D13 22.49 2.4 -9.54 -0.43 0
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337013 127256578 1 NO2C15H17 AB2C15D17 15.44 2.42 -9.39 -0.41 0
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337014 127256579 1 NO2C8H13 AB2C8D13 -36.05 2.6 -10.96 -0.34 0
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337015 127256580 1 NO2C8H13 AB2C8D13 -28.04 1.95 -11.26 -1.1 0
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337016 127256581 1 NO3C12H13 AB3C12D13 -24.32 1.7 -8.87 -0.98 0
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337017 127256582 1 NO2C6H9 AB2C6D9 -17.08 1.8 -11.29 -1.12 0
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337018 127256583 1 NO2C8H13 AB2C8D13 -26.97 1.89 -11.29 -1.12 0
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337019 127256584 1 NF3O3H8C10 AB3C3D8E10 -186.13 2.67 -9.55 -0.99 0
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337020 127256585 1 NOH7C8 ABC7D8 50.47 5.77 -9.86 -0.46 0
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337021 127256586 2 O2H5C6 A2B5C6 -90.01 2.36 -8.5 -1.26 0
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337022 127256587 1 O4C17H30 A4B17C30 -226.54 4.57 -10.34 0.34 0
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337023 127256588 4 OC4H7 AB4C7 -221.49 4.31 -10.33 0.36 0
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337024 127256589 2 O2C5H8 A2B5C8 -188.39 1.96 -10.24 0.58 0
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337025 127256590 1 O3C16H28 A3B16C28 -167.76 2.4 -9.9 0.69 0
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337026 127256591 2 NH2O2C3 AB2C2D3 -66.46 2.22 -10.86 -2.03 0
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337027 127256592 2 NH5O5C7 AB5C5D7 -344.66 5.72 -10.98 -3.0 0
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337028 127256593 1 NO4H9C13 AB4C9D13 -85.87 3.97 -8.28 -1.16 0
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337029 127256594 1 NO4H15C17 AB4C15D17 -98.29 4.93 -8.09 -0.68 0
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337030 127256595 1 NO3C17H21 AB3C17D21 -99.62 3.7 -8.07 -0.09 0
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337031 127256596 1 NOSC16H17 ABCD16E17 2.19 3.23 -8.39 -0.94 0
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337032 127256597 1 NO4C15H15 AB4C15D15 -125.95 2.6 -8.24 -0.58 0
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337033 127256598 4 OH3C4 AB3C4 -88.97 3.46 -8.4 -0.86 0
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337034 127256599 1 OH10C14 AB10C14 117.07 2.8 -8.63 -1.03 0
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337035 127256600 2 OC7H10 AB7C10 -36.82 3.49 -9.37 -0.02 0
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337036 127256601 1 ClO2C12H19 AB2C12D19 -90.62 2.47 -9.68 0.31 0
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337037 127256602 2 OC10H18 AB10C18 -140.69 2.73 -9.61 1.04 0
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337038 127256603 1 SO4C21H32 AB4C21D32 -178.9 5.68 -9.29 -0.54 0