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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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146667 53728012 1 OC12H22 AB12C22 -33.74 2.12 -9.77 1.41 0
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146668 53728013 1 FN2O2H19C21 AB2C2D19E21 -72.85 6.81 -9.14 -1.18 0
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146669 53728060 1 P3N5O6C24H40 A3B5C6D24E40 -263.3 6.54 -8.01 -0.19 0
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146670 53728223 1 O2C17H30 A2B17C30 -129.05 3.97 -9.72 0.73 0
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146671 53728491 1 SN2O4H26C27 AB2C4D26E27 -81.22 5.52 -9.07 -0.84 1
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146672 53728939 1 SN3O8C18H20 AB3C8D18E20 -259.8 6.17 0.0 0.0 0
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146673 53729131 1 FSN3C21H26 ABC3D21E26 -4.64 3.07 -8.84 -0.41 0
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146674 53729244 1 NO5C27H29 AB5C27D29 -112.89 7.35 -8.92 -0.39 0
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146675 53729921 1 NSiO8C42H53 ABC8D42E53 -328.5 8.23 -8.59 -0.47 0
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146676 53729952 1 N7O7C26H33 A7B7C26D33 -244.46 0.7 -9.79 -1.31 0
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146677 53730144 2 SiCl2C8H12 AB2C8D12 -66.58 0.26 -5.23 -3.4 0
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146678 53730191 1 NPO9C25H40 ABC9D25E40 -452.25 7.56 -9.63 -0.41 0
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146679 53730317 1 NPCl2O7C19H20 ABC2D7E19F20 -263.16 3.24 -9.87 -0.95 0
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146680 53730318 1 N4O5C24H38 A4B5C24D38 -256.26 6.06 -9.74 -0.14 0
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146681 53730319 1 FNO3C28H30 ABC3D28E30 -100.54 3.7 -8.75 -0.84 0
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146682 53730684 1 ON3H9C10 AB3C9D10 51.01 9.88 -9.01 -1.27 0
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146683 53730685 1 S2N3O9C21H25 A2B3C9D21E25 -253.42 6.68 -8.92 -1.44 0
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146684 53730768 1 N9H19C21 A9B19C21 151.65 6.36 -8.71 -1.18 0
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146685 53730769 1 BC26H41 AB26C41 -1.29 0.76 -9.02 -0.26 0
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146686 53730770 1 SN3O3H13C14 AB3C3D13E14 -38.78 5.84 -9.21 -0.78 0
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146687 53730872 1 ON2H8C10 AB2C8D10 56.39 3.9 -8.72 -0.76 0
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146688 53730873 1 NO6C14H17 AB6C14D17 -231.67 2.34 -9.32 -0.33 0
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146689 53730874 1 N3C8H11 A3B8C11 64.05 3.04 -9.3 -0.11 0
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146690 53730875 1 N3O7C30H35 A3B7C30D35 -189.97 6.21 -9.73 -1.25 0
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146691 53730876 1 OSN4C16H20 ABC4D16E20 39.22 3.06 -8.65 -1.18 0
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146692 53730877 1 S2O3C25H44 A2B3C25D44 -190.25 4.9 -8.78 0.12 0
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146693 53730878 2 SN2O3C8H8 AB2C3D8E8 -172.48 10.32 -9.21 -1.0 0
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146694 53730932 1 ClNPO5C11H13 ABCD5E11F13 -237.36 3.93 -8.98 -0.83 0
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146695 53730933 1 SO4N7C29H43 AB4C7D29E43 -103.91 4.31 -8.42 -0.06 0
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146696 53730934 1 SO2N5C13H13 AB2C5D13E13 60.58 3.72 -9.23 -1.38 0
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146697 53730935 2 O2C9H14 A2B9C14 -218.6 3.81 -10.16 -0.26 0
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146698 53731779 2 OH7C10 AB7C10 3.69 4.37 -8.29 -1.14 1
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146699 53731780 1 N2O3C15H15 A2B3C15D15 -75.77 3.02 0.0 0.0 0
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146700 53731781 1 OH8C10 AB8C10 34.24 1.78 -9.42 -0.2 0
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146701 53731821 1 N3C37H43 A3B37C43 76.18 5.65 -8.41 -0.95 0
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146702 53731822 1 N2O9C26H46 A2B9C26D46 -475.18 3.0 -9.51 0.17 0
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146703 53731823 1 O2N7C28H33 A2B7C28D33 29.87 14.58 -8.6 -0.63 0
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146704 53732109 1 SN2O6C16H16 AB2C6D16E16 -196.57 5.52 -9.59 -1.02 0
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146705 53732254 1 SO6C10H18 AB6C10D18 -191.22 2.39 -8.73 -0.16 0
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146706 53732614 1 N2O6C37H62 A2B6C37D62 -327.82 1.2 -9.43 0.26 0
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146707 53732640 1 SN3O5C29H35 AB3C5D29E35 -144.98 10.14 -8.3 -0.79 0
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146708 53732831 1 NO3C24H31 AB3C24D31 -111.59 8.11 -8.14 -0.25 0
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146709 53733041 1 NO4C28H39 AB4C28D39 -163.02 3.26 -8.47 0.14 0
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146710 53733426 1 SiO6C9H18 AB6C9D18 -373.74 4.12 -9.76 0.05 0
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146711 53733576 1 NSO3C16H23 ABC3D16E23 -106.24 3.06 -9.96 -0.66 0
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146712 53733577 1 N2O6H20C23 A2B6C20D23 -85.41 11.01 -9.52 -1.58 0
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146713 53733578 1 F2N3H19C23 A2B3C19D23 8.44 3.68 -9.5 -0.5 0
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146714 53733803 1 O5C12H14 A5B12C14 -160.34 2.51 -8.59 -0.32 0
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146715 53733894 1 NC24H47 AB24C47 -89.66 1.6 -9.2 1.41 0
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146716 53733907 2 OC11H15 AB11C15 -106.89 5.25 -9.04 -0.61 0
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146717 53734088 1 N2H36C39 A2B36C39 147.63 1.71 -8.45 -0.4 0
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146718 53734132 1 ON2C16H18 AB2C16D18 51.97 5.28 -9.1 -0.64 0
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146719 53734179 1 SO2C18H38 AB2C18D38 -167.17 5.61 -10.55 0.95 0
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146720 53735023 1 Cl2O4N5C31H33 A2B4C5D31E33 -44.84 4.87 -8.5 -0.81 0
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146721 53735236 1 N2C15H26 A2B15C26 2.24 3.47 -7.95 0.69 0
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146722 53735337 1 O2N4C23H28 A2B4C23D28 -36.77 6.59 -8.61 -0.18 0
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146723 53735565 1 SN4O7H22C25 AB4C7D22E25 -132.88 4.62 -9.34 -1.1 0
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146724 53737239 1 S4O5N9H19C20 A4B5C9D19E20 68.68 8.17 -8.96 -1.25 0
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146726 53737633 1 O5C22H38 A5B22C38 -261.97 4.94 -9.65 -0.16 0
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146727 53737634 1 NO3C25H29 AB3C25D29 -61.85 4.13 -8.42 0.11 0
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146728 53738183 1 N11O14C74H125 A11B14C74D125 -595.1 7.94 -8.07 0.04 0
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146729 53738608 1 SO2N4C18H22 AB2C4D18E22 -10.36 6.95 -8.62 -1.08 0
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146730 53739331 1 ClS2N3C16H16 AB2C3D16E16 59.9 1.97 -8.73 -0.68 0
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146731 53739335 1 ClSO2C19H19 ABC2D19E19 -21.51 3.6 -7.86 -0.48 0
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146732 53739622 1 NOC19H25 ABC19D25 -28.86 2.9 -9.27 0.23 0
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146733 53740065 1 NO3H15C20 AB3C15D20 39.46 3.46 -9.02 -1.5 0
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146734 53740066 2 NC8H14 AB8C14 -23.34 2.77 -7.53 0.5 0
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146735 53740067 1 Cl2N2O4H12C15 A2B2C4D12E15 -66.43 7.1 -9.25 -1.61 0
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146736 53740553 1 SO2C33H66 AB2C33D66 -229.54 2.51 -8.8 -0.64 0
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146737 53740611 1 NO6C14H15 AB6C14D15 -195.05 3.95 -8.43 -0.84 0
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146738 53740951 1 NOSF3H14C18 ABCD3E14F18 -144.54 7.06 -8.87 -1.02 0
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146739 53741811 1 N3H17C19 A3B17C19 163.61 3.8 -9.26 -1.12 0
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146740 53742103 1 SN2H14C15 AB2C14D15 66.44 3.7 -8.38 -0.66 0
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146741 53742416 1 ClNOC22H26 ABCD22E26 -17.19 5.17 -9.01 -0.77 0
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146742 53742417 1 ClSN2O5C13H13 ABC2D5E13F13 -193.77 4.49 -9.78 -1.05 0
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146743 53742521 2 IC3H6 AB3C6 -5.71 0.4 -9.68 -1.61 0
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146744 53742889 1 O15C76H140 A15B76C140 -934.38 4.32 -10.02 -0.42 1
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146745 53742933 1 NPO4C22H47 ABC4D22E47 -288.4 10.52 0.0 0.0 0
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146746 53743054 1 O2N8C33H34 A2B8C33D34 70.66 5.39 -8.93 -0.74 0
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146747 53743249 1 O2C15H16 A2B15C16 -50.28 4.22 -9.07 -0.5 0
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146748 53743321 1 N2O3C20H22 A2B3C20D22 -70.89 1.92 -9.63 -0.93 0
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146749 53743322 1 O3N4C8H8 A3B4C8D8 -70.49 5.74 -8.54 -1.34 0
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146751 53743347 2 FOH10C11 ABC10D11 -127.02 4.41 -8.94 -1.12 0
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146752 53744113 1 ClON2C20H21 ABC2D20E21 1.5 2.31 -8.16 -0.01 1
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146753 53744273 1 BrON6H12C14 ABC6D12E14 148.95 4.72 0.0 0.0 0
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146754 53744743 1 N11O11C57H111 A11B11C57D111 -400.35 4.65 -8.15 0.76 0
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146755 53745181 1 NO7C29H37 AB7C29D37 -290.83 4.63 -9.52 -0.04 0
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146756 53745234 2 ON2C3H6 AB2C3D6 -85.6 2.78 -9.7 0.6 0
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146757 53745235 1 SO2N5C21H21 AB2C5D21E21 25.96 5.3 -8.42 -0.69 0
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146758 53745236 2 NO3C12H20 AB3C12D20 -309.18 5.56 -9.17 0.24 0
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146759 53745305 1 S5O6N7C17H17 A5B6C7D17E17 -17.79 8.31 -8.96 -1.4 0
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146760 53745391 1 NO2C16H17 AB2C16D17 -17.61 2.6 -9.37 0.0 0
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146761 53745392 1 N3O3C21H25 A3B3C21D25 -49.44 5.96 -8.82 -0.62 0
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146762 53745625 1 FSiO3N4C18H35 ABC3D4E18F35 -223.84 5.78 -9.01 -0.04 1
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146763 53746042 1 SO3F4N6H13C15 AB3C4D6E13F15 -171.3 1.9 0.0 0.0 0
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146764 53746061 1 N5C11H11 A5B11C11 89.93 3.33 -8.53 -0.97 0
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146765 53746074 1 C17H30 A17B30 -17.16 0.57 -9.01 1.27 0
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146766 53746092 1 N2O2C19H24 A2B2C19D24 -36.82 1.18 -8.5 -0.1 0
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146767 53746207 1 SiO8C24H38 AB8C24D38 -432.87 2.63 -8.89 -0.8 0
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146768 53746208 1 F2N2O6H12C15 A2B2C6D12E15 -218.52 0.57 -9.91 -1.64 0