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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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413563 135086512 1 O2N3H9C12 A2B3C9D12 41.06 5.93 -9.71 -1.14 1
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413564 135086513 1 O2N3H10C12 A2B3C10D12 50.09 8.15 0.0 0.0 0
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413565 135086514 2 OC7H9 AB7C9 -80.57 5.43 -9.36 0.34 0
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413566 135086515 1 SSiO2N4C28H30 ABC2D4E28F30 80.57 5.02 -8.15 -0.55 0
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413567 135086516 1 SSiO2N4C27H28 ABC2D4E27F28 88.81 6.03 -8.47 -0.57 0
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413568 135086517 1 SSiO3N4C28H30 ABC3D4E28F30 46.95 4.6 -8.25 -0.71 0
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413569 135086518 1 NO2C15H19 AB2C15D19 -51.98 1.62 -9.16 -0.11 0
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413570 135086519 1 NO2H15C18 AB2C15D18 26.81 4.53 -8.8 -0.13 0
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413571 135086520 1 SN2O5C28H28 AB2C5D28E28 -119.59 6.3 -8.25 -0.72 0
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413572 135086521 1 OSiN2C19H34 ABC2D19E34 -104.25 2.74 -8.34 0.15 0
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413573 135086522 1 N2O3C17H18 A2B3C17D18 -71.41 4.5 -8.83 -0.29 0
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413574 135086523 1 OC20H20 AB20C20 -5.84 2.26 -8.52 -0.44 0
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413575 135086524 1 OF3C17H17 AB3C17D17 -185.64 4.84 -8.97 -0.67 0
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413576 135086525 1 O2C17H20 A2B17C20 -60.09 2.71 -8.73 0.1 0
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413577 135086526 1 O2C17H24 A2B17C24 -93.91 2.05 -9.59 -0.04 0
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413578 135086527 1 OF3H13C17 AB3C13D17 -139.18 4.22 -9.76 -0.89 0
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413579 135086528 1 FON2C9H15 ABC2D9E15 -95.85 2.37 -8.91 0.3 0
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413580 135086529 1 NCl2O3H17C18 AB2C3D17E18 -88.52 3.39 -9.28 -0.79 0
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413581 135086530 1 NO5H17C18 AB5C17D18 -158.42 3.69 -9.11 -0.72 0
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413582 135086531 1 SH18C28 AB18C28 206.75 1.38 -8.25 -0.54 0
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413583 135086532 1 OSH14C16 ABC14D16 56.57 3.16 -8.67 -0.35 0
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413584 135086533 1 SF6H8C10 AB6C8D10 -277.2 4.52 -9.61 -1.04 0
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413585 135086534 2 OC10H15 AB10C15 -69.16 3.97 -8.92 0.12 1
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413586 135086535 1 FNOC13H17 ABCD13E17 -38.14 2.78 0.0 0.0 0
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413587 135086536 1 FNOC13H16 ABCD13E16 -63.17 2.03 -9.15 0.3 0
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413588 135086537 1 NOSC11H13 ABCD11E13 -13.49 4.16 -7.72 -0.08 0
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413589 135086538 1 IO2C20H29 AB2C20D29 -87.47 1.15 -9.33 -0.86 0
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413590 135086539 1 O6C17H22 A6B17C22 -243.74 4.28 -9.51 0.2 0
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413591 135086540 1 O6C19H26 A6B19C26 -261.0 3.67 -9.45 0.27 0
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413592 135086541 4 OC4H5 AB4C5 -146.7 6.83 -9.36 -0.53 0
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413593 135086542 1 OC16H22 AB16C22 -37.06 3.08 -9.44 0.13 0
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413594 135086543 1 ClOC16H21 ABC16D21 -48.72 1.56 -9.55 -0.37 0
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413595 135086544 1 NO2C11H13 AB2C11D13 -41.96 3.21 -8.8 -0.12 0
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413596 135086545 1 BrSN2O2H15C18 ABC2D2E15F18 -7.64 8.99 -9.13 -0.7 0
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413597 135086546 1 BrClSN2O2H14C18 ABCD2E2F14G18 -18.69 6.69 -8.89 -0.86 0
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413598 135086547 1 FO2N3C12H12 AB2C3D12E12 -26.36 1.62 -10.1 -0.67 0
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413599 135086548 2 O2C7H8 A2B7C8 -136.92 5.68 -8.88 0.02 0
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413600 135086549 1 BrO2N3C12H12 AB2C3D12E12 24.61 3.66 -9.92 -0.79 0
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413601 135086550 2 O2C7H8 A2B7C8 -126.63 2.14 -9.15 -0.87 0
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413602 135086551 1 ON3C18H23 AB3C18D23 12.46 5.95 -9.53 -1.01 0
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413603 135086552 2 NOH5C6 ABC5D6 28.17 6.08 -8.2 -1.02 0
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413604 135086553 1 BrNSO2H10C14 ABCD2E10F14 4.15 2.81 -8.45 -1.2 0
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413605 135086554 1 ClO2N4C14H15 AB2C4D14E15 -7.99 4.63 -9.19 -0.9 0
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413607 135086556 1 Si3O6C32H68 A3B6C32D68 -503.69 3.51 -8.78 0.9 0
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413608 135086557 1 ClN2F3H8C12 AB2C3D8E12 -105.97 4.95 -8.93 -0.91 0
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413609 135086558 1 N2F3O4C15H15 A2B3C4D15E15 -308.41 4.56 -9.01 -1.03 0
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413610 135086559 1 SO3N4H16C17 AB3C4D16E17 1.48 2.63 -8.23 -0.75 0
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413611 135086560 2 NOC7H8 ABC7D8 -21.16 2.48 -8.43 0.02 0
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413612 135086561 1 N2O2C15H18 A2B2C15D18 -25.92 5.44 -8.51 -0.04 0
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413613 135086562 1 N2O2C15H18 A2B2C15D18 -28.33 5.4 -8.41 -0.03 0
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413614 135086563 1 BN2O2H13C14 AB2C2D13E14 -76.87 2.84 -8.94 -0.39 0
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413615 135086564 1 INF3C12H13 ABC3D12E13 -122.79 3.37 -9.68 -1.5 0
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413616 135086565 1 NC9H13 AB9C13 55.31 2.11 -8.76 0.86 0
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413617 135086566 1 O5C8H10 A5B8C10 -191.07 3.0 -10.73 -1.12 0
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413618 135086567 1 NOH13C14 ABC13D14 22.92 3.73 -9.25 -0.49 0
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413619 135086568 1 ClIC12H20 ABC12D20 -13.61 2.5 -9.2 -0.64 0
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413620 135086569 2 IC6H10 AB6C10 15.47 2.59 -9.03 -0.68 0
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413621 135086570 1 NOSiF5C8H16 ABCD5E8F16 -360.85 2.75 -9.33 0.72 0
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413622 135086571 1 NOC7H9 ABC7D9 4.53 1.58 -9.31 0.47 0
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413623 135086572 1 LiNC10H20 ABC10D20 -20.33 5.18 -6.53 3.28 0
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413624 135086573 1 NC10H21 AB10C21 -30.35 1.83 -9.36 1.21 0
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413625 135086574 1 ON2C13H16 AB2C13D16 -27.89 3.64 -8.79 0.1 0
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413626 135086575 1 NC13H13 AB13C13 109.89 2.9 -9.28 -0.27 0
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413627 135086576 1 NOC14H15 ABC14D15 68.44 4.19 -8.67 -0.16 0
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413628 135086577 1 NO2C16H17 AB2C16D17 78.16 8.19 -9.73 -1.56 0
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413629 135086578 1 SCl2N2O6H20C29 AB2C2D6E20F29 -97.48 6.62 -8.71 -1.61 0
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413630 135086579 1 O2C15H16 A2B15C16 -0.14 6.08 -9.07 -0.65 0
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413631 135086580 1 SN2O2H16C17 AB2C2D16E17 4.55 4.98 -9.6 -0.8 0
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413632 135086581 1 NSO4C17H23 ABC4D17E23 -158.95 6.16 -10.2 -0.59 0
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413633 135086582 1 N2O3H18C19 A2B3C18D19 -41.01 3.36 -8.14 -0.89 0
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413634 135086583 1 OSi2C15H28 AB2C15D28 -124.4 1.87 -8.68 0.07 0
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413635 135086584 1 O3C22H22 A3B22C22 -71.5 1.95 -9.39 -0.63 0
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413636 135086585 1 SiO5C30H38 AB5C30D38 -186.22 2.72 -8.76 -0.92 0
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413637 135086586 1 SiO6C30H38 AB6C30D38 -205.87 3.23 -8.73 -0.88 0
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413638 135086587 1 NC18H21 AB18C21 57.28 1.78 -8.88 0.37 0