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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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401516 135051503 1 N2O3H18C19 A2B3C18D19 27.1 4.89 -9.32 -1.5 0
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401517 135051504 2 PC16H30 AB16C30 -97.23 6.39 -5.58 2.37 0
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401518 135051505 1 LiNO2H14C15 ABC2D14E15 -42.27 5.48 -8.13 -0.66 0
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401519 135051506 1 NO2C15H15 AB2C15D15 -24.9 2.43 -9.01 -0.66 0
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401520 135051507 1 NOS2H9C13 ABC2D9E13 27.29 2.61 -8.87 -1.6 0
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401521 135051508 1 OS2C7H8 AB2C7D8 -28.53 3.85 -8.27 -1.3 0
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401522 135051509 1 OS2H12C13 AB2C12D13 -7.2 3.77 -8.29 -1.33 1
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401523 135051510 1 S4H5C7 A4B5C7 97.73 0.34 0.0 0.0 0
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401524 135051511 1 S4H6C7 A4B6C7 89.45 0.74 -8.94 -2.0 0
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401525 135051512 2 O3C9H11 A3B9C11 -222.68 5.0 -8.38 -0.42 0
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401526 135051520 1 N2S2C17H18 A2B2C17D18 68.57 3.36 -8.53 -0.68 0
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401528 135051523 1 SO2C12H22 AB2C12D22 -117.36 2.26 -8.32 0.34 0
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401529 135051524 1 PBr2H13C18 AB2C13D18 49.73 0.6 -9.31 -1.03 1
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401530 135051526 1 O2H15C21 A2B15C21 36.3 2.64 0.0 0.0 0
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401531 135051532 1 ClNOH18C20 ABCD18E20 31.62 2.99 -8.04 -0.26 0
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401532 135051534 1 ClS2O4C11H17 AB2C4D11E17 -11.1 13.91 -10.03 -3.02 0
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401533 135051535 1 ClS2O4C13H13 AB2C4D13E13 33.93 11.32 -10.06 -3.66 0
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401534 135051537 1 OBr4H10C15 AB4C10D15 37.18 4.09 -9.69 -1.68 0
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401535 135051538 1 O2S2C11H12 A2B2C11D12 -27.98 4.39 -8.68 -1.1 0
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401536 135051541 1 ClO2S2H15C17 AB2C2D15E17 -21.54 6.23 -8.78 -1.9 0
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401537 135051543 1 S2O5H12C13 A2B5C12D13 -173.12 7.07 -8.49 -1.08 1
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401538 135051557 1 NSO2C11H12 ABC2D11E12 -36.82 4.48 0.0 0.0 0
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401539 135051578 1 OS2C8H8 AB2C8D8 -24.62 3.84 -8.34 -1.3 0
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401540 135051590 1 INO2C15H18 ABC2D15E18 -45.89 5.56 -9.11 -1.26 0
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401541 135051591 1 IN2O4C15H17 AB2C4D15E17 -46.04 8.34 -9.06 -1.76 0
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401542 135051593 1 NSSiF3O4C17H18 ABCD3E4F17G18 -252.1 6.42 -8.87 -1.5 0
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401543 135051595 1 SiN2O2C19H22 AB2C2D19E22 -52.73 5.34 -9.06 -0.15 0
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401544 135051597 1 BrClOSeH8C11 ABCDE8F11 -15.83 2.12 -8.77 -0.77 0
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401546 135051601 4 H5C7 A5B7 123.14 0.4 -8.64 -0.65 0
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401547 135051602 1 SH16C24 AB16C24 110.16 0.87 -8.42 -0.57 0
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401548 135051603 1 ClSN2O3H11C13 ABC2D3E11F13 -2.1 5.75 -8.74 -1.52 0
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401549 135051605 1 NF3O4C18H18 AB3C4D18E18 -272.94 4.71 -8.96 -0.54 0
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401550 135051609 1 ClNOC13H16 ABCD13E16 -34.02 3.59 -8.98 -0.01 0
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401551 135051611 1 ClNO2C10H12 ABC2D10E12 -69.21 4.19 -8.82 -0.41 0
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401552 135051613 1 NPSO2H26C31 ABCD2E26F31 30.38 4.45 -8.32 -1.08 0
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401553 135051614 1 BrSeN2O4H7C12 ABC2D4E7F12 35.63 3.88 -9.36 -2.92 0
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401554 135051615 1 ClOSeH13C16 ABCD13E16 -17.61 3.22 -8.39 -0.68 0
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401555 135051616 1 SeO4H16C19 AB4C16D19 -110.22 4.22 -8.57 -1.18 0
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401556 135051627 1 NF3O3H18C26 AB3C3D18E26 -98.92 7.05 -9.7 -1.4 0
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401557 135051632 1 OTeBr2H14C16 ABC2D14E16 12.89 4.11 -9.11 -1.96 0
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401558 135051633 1 TeO3H8C9 AB3C8D9 -86.81 3.05 -8.99 -0.9 0
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401559 135051642 1 NSO3C17H19 ABC3D17E19 -79.01 6.94 -8.79 -0.23 0
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401560 135051644 1 NO5C18H21 AB5C18D21 -169.53 5.68 -9.02 -0.96 0
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401561 135051652 1 N2O3C19H28 A2B3C19D28 -131.09 3.76 -8.38 0.02 0
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401562 135051653 1 TeO4H8C9 AB4C8D9 -149.0 4.37 -8.59 -1.36 0
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401564 135051656 1 SeO2H12C16 AB2C12D16 -9.6 3.7 -8.39 -0.82 0
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401565 135051657 1 NSeO4C12H13 ABC4D12E13 -59.84 5.1 -9.06 -1.69 0
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401566 135051661 1 NF3O3C18H18 AB3C3D18E18 -227.27 5.27 -9.28 -0.44 0
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401567 135051662 1 NPO2C23H24 ABC2D23E24 -41.03 1.82 -8.45 -0.06 0
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401568 135051663 1 NSiO2C14H19 ABC2D14E19 -66.86 3.33 -8.4 -0.12 0
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401569 135051664 1 BrN3O3H18C19 AB3C3D18E19 -11.84 5.62 -8.62 -0.94 0
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401570 135051668 1 NOF3C10H10 ABC3D10E10 -137.14 3.07 -9.39 -0.61 0
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401571 135051671 1 SeO2H10C11 AB2C10D11 -60.43 4.4 -8.77 -0.59 0
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401572 135051672 2 NC8H9 AB8C9 80.98 2.75 -8.44 0.08 0
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401573 135051673 1 SH20C23 AB20C23 56.11 1.99 -8.3 -0.5 0
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401574 135051674 2 SH8C13 AB8C13 123.05 1.24 -8.6 -1.01 0
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401575 135051675 1 SN2O2H14C16 AB2C2D14E16 36.8 0.57 -8.54 -0.78 0
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401576 135051676 1 OSeH12C16 ABC12D16 19.79 2.56 -8.51 -0.94 0
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401577 135051678 1 FeOPC12H13 ABCD12E13 118.87 10.6 -7.64 -0.08 0
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401578 135051680 1 SiN2O3C15H22 AB2C3D15E22 -123.34 3.56 -8.57 -0.23 0
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401579 135051681 1 NO6H17C18 AB6C17D18 -114.87 5.29 -9.57 -1.45 0
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401580 135051683 1 N2H20C21 A2B20C21 91.36 1.74 -8.13 -0.04 0
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401581 135051685 1 SeO2C12H12 AB2C12D12 -65.69 4.29 -8.75 -0.52 0
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401582 135051692 1 NF3O4H24C25 AB3C4D24E25 -237.67 3.64 -8.75 -0.46 0
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401583 135051694 1 NPO2C30H30 ABC2D30E30 -16.41 4.77 -8.98 -0.28 0
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401585 135051713 1 SiC13H20 AB13C20 -20.91 0.85 -9.05 0.53 0
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401586 135051736 1 NSO2H17C20 ABC2D17E20 16.35 7.36 -9.12 -0.9 0
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401587 135051746 1 N3O4C19H21 A3B4C19D21 -7.8 8.9 -9.04 -1.15 0
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401588 135051756 1 BrNO2C13H14 ABC2D13E14 -51.42 5.08 -8.98 -0.42 0
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401589 135051760 2 SeN2O4H7C12 AB2C4D7E12 81.87 0.73 -9.64 -2.99 0
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401590 135051762 1 INO2C15H18 ABC2D15E18 -53.82 4.38 -8.79 -1.0 0
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401591 135051763 1 NOSeH21C27 ABCD21E27 53.56 2.92 -8.29 -0.5 0
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401592 135051765 1 NSF2O2C18H19 ABC2D2E18F19 -130.89 5.83 -9.31 -0.8 0
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401593 135051769 1 ClNO3H18C25 ABC3D18E25 55.88 6.42 -9.45 -1.29 0
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401594 135051770 1 NS2O4C20H27 AB2C4D20E27 -140.44 9.64 -8.32 -0.86 0
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401595 135051771 1 NS2O4C20H27 AB2C4D20E27 -138.71 6.75 -8.46 -0.38 0
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401596 135051779 1 NPO2C8H9 ABC2D8E9 34.95 8.06 0.0 0.0 0
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401597 135051791 1 NSO2H17C19 ABC2D17E19 -13.07 5.11 -8.3 -0.68 0
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401598 135051795 1 SO4C17H20 AB4C17D20 -148.8 6.44 -8.49 -0.54 0
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401599 135051796 1 NSH11C17 ABC11D17 112.52 4.05 -8.78 -0.69 0
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401600 135051798 1 FeP2C16H25 AB2C16D25 18.41 2.92 0.0 0.0 0
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401601 135051810 1 ClN3O5C18H24 AB3C5D18E24 -187.62 6.37 -8.45 -0.08 0
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401602 135051814 1 S2H12C17 A2B12C17 75.44 1.39 -8.54 -0.44 0
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401603 135051815 1 SO2H16C20 AB2C16D20 -19.24 5.89 -8.98 -0.63 0
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401604 135051816 1 N2O3H16C17 A2B3C16D17 -39.51 3.82 -8.25 -0.49 0
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401605 135051817 1 NPO3H22C25 ABC3D22E25 -29.27 2.22 -8.39 -0.61 0
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401606 135051818 1 NOC13H15 ABC13D15 7.33 3.14 -9.6 -0.44 0
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401607 135051821 1 LiNSO3H12C13 ABCD3E12F13 -90.83 4.34 -8.11 -0.4 0
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401608 135051822 1 NO4H25C32 AB4C25D32 55.27 6.77 -8.99 -0.84 0
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401609 135051823 1 ClNS2O3C19H24 ABC2D3E19F24 -108.36 8.32 -8.47 -0.82 0
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401610 135051824 1 ClNS2O3C19H24 ABC2D3E19F24 -104.33 4.78 -8.3 -0.53 0
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401611 135051825 1 NOSiC18H23 ABCD18E23 -46.39 3.21 -8.64 0.07 0
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401612 135051827 1 SeO2H14C16 AB2C14D16 -22.56 4.2 -8.57 -0.69 0
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401613 135051829 1 SeN2O6H18C21 AB2C6D18E21 -87.38 1.85 -9.53 -1.6 0
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401615 135051834 1 O3C16H24 A3B16C24 -129.16 4.19 -9.44 0.0 0
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401616 135051837 1 NOH13C16 ABC13D16 53.14 2.03 -9.56 -0.58 1
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401617 135051842 1 OSeC9H9 ABC9D9 -9.5 1.44 0.0 0.0 0
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401618 135051843 1 OSeH14C17 ABC14D17 9.29 2.75 -8.43 -0.89 0
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401619 135051844 1 OSeH12C19 ABC12D19 45.99 2.46 -8.52 -1.02 0
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401620 135051845 1 OSeH12C19 ABC12D19 45.31 2.56 -8.54 -1.02 0