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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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143534 53223572 1 ClFNO2H7C12 ABCD2E7F12 -80.85 3.84 -10.27 -1.51 0
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143535 53223585 1 FNCl2O2H6C12 ABC2D2E6F12 -85.27 2.67 -10.25 -1.66 0
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143536 53223854 1 NO2H11C16 AB2C11D16 -5.91 5.46 -8.99 -1.12 0
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143537 53223994 1 NCl2O3H7C12 AB2C3D7E12 -95.9 5.29 -9.82 -1.34 0
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143538 53223995 1 NCl2O3H7C12 AB2C3D7E12 -97.88 1.29 -9.86 -1.29 0
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143539 53223996 1 NCl2O3H9C13 AB2C3D9E13 -88.87 4.98 -9.65 -1.32 0
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143540 53223997 1 NO2Cl3H6C12 AB2C3D6E12 -48.93 3.69 -9.95 -1.64 0
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143541 53223998 1 NO2Cl3H6C12 AB2C3D6E12 -47.58 2.1 -10.15 -1.38 0
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143542 53223999 1 NCl2O2H7C12 AB2C2D7E12 -40.53 3.16 -9.81 -1.33 0
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143543 53224121 1 ClFNO4H9C14 ABCD4E9F14 -159.88 4.9 -10.35 -1.73 0
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143544 53224866 1 O2F3H11C15 A2B3C11D15 -205.81 5.83 -9.79 -1.27 0
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143545 53224881 1 NO4H11C14 AB4C11D14 -46.05 8.14 -9.86 -1.88 0
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143546 53224882 1 NO4H11C14 AB4C11D14 -48.22 5.25 -9.81 -1.86 0
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143547 53225600 1 FO3H11C14 AB3C11D14 -136.02 4.52 -9.69 -0.91 0
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143548 53225739 1 FSO3H7C12 ABC3D7E12 -103.38 2.26 -9.64 -1.47 0
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143549 53225740 1 FSO3H7C12 ABC3D7E12 -102.89 4.69 -9.65 -1.44 0
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143550 53226117 1 ClFNO2H7C14 ABCD2E7F14 -60.29 5.56 -10.07 -1.22 0
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143551 53226596 1 F2O3H10C14 A2B3C10D14 -171.58 3.36 -9.03 -0.89 0
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143552 53226703 1 ClO2H13C15 AB2C13D15 -65.92 5.9 -9.68 -0.72 0
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143553 53226794 2 OH7C9 AB7C9 -34.06 1.81 -8.93 -0.63 0
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143554 53226795 2 OH7C9 AB7C9 -28.85 5.95 -9.15 -0.76 0
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143555 53226796 2 OH7C9 AB7C9 -29.31 4.97 -9.1 -0.66 0
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143556 53227004 1 FO2C17H17 AB2C17D17 -106.0 5.54 -9.41 -0.86 0
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143557 53227403 2 FO2H4C7 AB2C4D7 -209.02 4.87 -10.55 -1.47 0
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143558 53227604 1 O2F3H11C15 A2B3C11D15 -213.1 3.99 -9.81 -0.79 0
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143559 53227605 1 O2F3H11C15 A2B3C11D15 -207.35 3.3 -10.08 -0.97 0
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143560 53227669 2 ClOH5C7 ABC5D7 -63.05 5.22 -9.82 -0.93 0
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143561 53227687 1 O2Cl3H7C13 A2B3C7D13 -62.44 3.71 -9.84 -1.3 0
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143562 53228050 1 ClNO4H10C14 ABC4D10E14 -130.43 6.73 -9.85 -1.21 0
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143563 53228051 1 ClNO4H10C14 ABC4D10E14 -136.65 3.71 -9.86 -1.43 0
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143564 53228146 1 ClFO3H12C15 ABC3D12E15 -143.77 3.64 -9.07 -0.79 0
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143565 53228156 1 ClO4H15C16 AB4C15D16 -133.35 7.82 -9.13 -0.75 0
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143566 53228167 1 ClF3O3H12C16 AB3C3D12E16 -254.78 8.15 -9.44 -1.21 0
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143567 53228168 1 ClO4H11C15 AB4C11D15 -141.17 7.14 -9.93 -1.13 0
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143568 53228169 1 ClO4H11C15 AB4C11D15 -135.41 3.69 -10.15 -1.33 0
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143569 53228170 1 ClO4H11C15 AB4C11D15 -136.18 1.8 -10.12 -1.26 0
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143570 53228171 1 ClO4H11C15 AB4C11D15 -136.42 6.65 -9.87 -1.29 0
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143571 53228280 1 NO2F4H9C14 AB2C4D9E14 -245.27 6.88 -9.22 -1.15 0
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143572 53228305 1 NF4O4H7C14 AB4C4D7E14 -243.72 2.39 -10.74 -2.16 0
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143573 53228585 1 NF3O3H16C19 AB3C3D16E19 -241.9 7.26 -9.65 -1.34 0
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143574 53228586 1 F3O3H13C16 A3B3C13D16 -253.72 4.84 -9.44 -0.62 0
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143575 53228918 1 ClNO4C18H18 ABC4D18E18 -161.74 9.48 -9.11 -1.1 0
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143576 53229208 1 N2O3H12C13 A2B3C12D13 -66.97 5.07 -8.71 -0.93 0
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143577 53229460 1 NO3C13H13 AB3C13D13 -72.79 9.23 -8.85 -0.26 0
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143578 53229625 1 FN2O3H13C15 AB2C3D13E15 -120.84 2.27 -10.11 -1.4 0
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143579 53229681 1 SN2O4C14H14 AB2C4D14E14 -98.05 8.06 -9.68 -1.54 0
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143580 53229699 1 SN2O3C15H16 AB2C3D15E16 -68.17 3.14 -9.36 -1.12 0
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143581 53229937 1 NC11H11 AB11C11 58.64 3.47 -9.44 0.1 0
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143582 53230300 1 BrN3O4H28C31 AB3C4D28E31 -66.06 4.26 -8.85 -0.6 0
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143583 53230487 1 NSSiO3C19H29 ABCD3E19F29 -131.32 8.5 -8.45 -0.75 0
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143584 53230488 1 NF3H14C16 AB3C14D16 -114.41 6.1 -9.34 -0.48 0
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143585 53230489 1 SSiN2F3O3C35H43 ABC2D3E3F35G43 -279.21 10.2 -8.58 -0.78 0
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143586 53230595 1 N3O6C8H19 A3B6C8D19 -99.13 5.59 -8.98 -1.35 0
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143587 53230632 1 NO5C24H37 AB5C24D37 -238.51 2.16 -9.55 0.12 0
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143588 53230678 1 BNOC13H19 ABCD13E19 118.36 4.16 0.0 0.0 0
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143589 53231171 1 F3N3O7C14H16 A3B3C7D14E16 -409.19 6.88 -10.89 -0.87 0
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143590 53231239 1 ClNO2C28H32 ABC2D28E32 -35.3 6.12 -8.96 -0.42 0
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143591 53231451 1 ClON2C17H19 ABC2D17E19 -2.83 3.05 -9.15 -0.26 0
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143592 53231793 1 ON4C17H20 AB4C17D20 78.35 5.57 -8.73 -0.18 0
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143593 53231794 1 N5C18H23 A5B18C23 119.7 4.24 -8.36 -0.18 0
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143594 53232433 1 O8N11C22H43 A8B11C22D43 -355.59 7.46 -9.38 -0.16 -1
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143595 53232579 1 Cl2N6C9H11 A2B6C9D11 108.03 4.76 0.0 0.0 0
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143596 53232641 1 FN6C20H23 AB6C20D23 70.54 4.64 -8.75 -1.01 0
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143597 53233251 1 ClO2N5C27H38 AB2C5D27E38 -71.74 4.28 -8.57 -1.23 2
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143599 53233305 2 N2C25H32 A2B25C32 131.43 25.77 -4.97 -2.2 0
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143600 53233356 1 FNO4H20C22 ABC4D20E22 -132.23 3.3 -8.48 -1.19 0
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143601 53233791 1 OF3N3H6C10 AB3C3D6E10 -116.64 3.28 -9.3 -1.22 0
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143602 53234273 1 NSCl2O3H19C20 ABC2D3E19F20 -66.29 9.77 -9.16 -1.39 0
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143603 53234378 1 Cl2O2N3H17C19 A2B2C3D17E19 -21.82 3.92 -8.88 -1.27 0
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143604 53234897 1 SO2N5H15C17 AB2C5D15E17 57.9 3.83 -9.06 -1.44 0
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143605 53234898 1 SO3N5C23H23 AB3C5D23E23 21.94 5.26 -8.29 -0.72 0
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143606 53234899 1 SO3N5H21C22 AB3C5D21E22 28.23 5.49 -8.29 -0.76 0
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143607 53234900 2 ON3H11C13 AB3C11D13 73.49 4.46 -8.13 -0.78 0
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143608 53235006 1 FO4N6H27C33 AB4C6D27E33 -40.18 3.23 -9.31 -0.98 0
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143609 53235007 1 S2N5O7C26H27 A2B5C7D26E27 -164.36 8.64 -9.13 -1.14 0
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143610 53235008 1 S2N5O7C28H31 A2B5C7D28E31 -172.5 9.3 -8.89 -1.15 0
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143611 53235009 1 S2N5O7C29H33 A2B5C7D29E33 -178.27 12.61 -9.17 -1.11 0
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143612 53235010 1 S2N5O7C29H33 A2B5C7D29E33 -175.51 7.85 -9.22 -1.08 0
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143613 53235169 1 S3N4O7H24C27 A3B4C7D24E27 -109.03 10.65 -9.18 -1.1 0
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143614 53235290 1 SO2N5C17H17 AB2C5D17E17 15.69 4.06 -9.03 -1.35 0
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143615 53235541 1 SN6O6F7C27H29 AB6C6D7E27F29 -376.16 4.38 -10.01 -1.83 0
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143616 53235783 1 ClN5C34H36 AB5C34D36 131.74 11.61 -7.77 -0.73 1
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143617 53235784 1 N5C34H36 A5B34C36 147.93 1.34 0.0 0.0 0
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143618 53235785 1 ClON3C21H24 ABC3D21E24 4.73 4.41 -9.39 -0.07 0
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143619 53235958 2 OC9H10 AB9C10 -54.22 1.73 -9.36 0.2 0
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143620 53236222 1 N2O2C17H24 A2B2C17D24 -59.86 5.37 -8.99 0.01 0
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143621 53236223 1 N2O3C18H26 A2B3C18D26 -100.15 2.64 -8.32 0.06 0
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143622 53236264 1 ClOSN2H11C16 ABCD2E11F16 20.39 7.33 -8.87 -1.14 0
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143623 53236265 1 BrClOSN2H8C12 ABCDE2F8G12 14.02 7.07 -8.82 -1.21 0
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143624 53236698 1 BrSN2O3C24H29 ABC2D3E24F29 -89.17 7.78 -9.36 -0.94 0
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143625 53236786 1 FN4O4H29C32 AB4C4D29E32 -100.04 3.12 -8.74 -0.47 0
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143626 53237196 2 NOC9H12 ABC9D12 -52.46 5.35 -8.97 0.06 0
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143627 53237271 1 O2C25H38 A2B25C38 -111.8 1.94 -8.7 0.11 0
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143628 53237285 1 SN3O3F5H12C21 AB3C3D5E12F21 -254.49 10.27 -9.48 -1.08 0
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143629 53237488 1 O8N14C45H60 A8B14C45D60 -297.23 12.4 -9.02 -0.55 0
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143630 53238060 1 O5N7C33H45 A5B7C33D45 -144.15 8.14 -8.11 -0.1 0
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143632 53238347 1 O2N3C18H19 A2B3C18D19 12.14 2.21 -9.16 -0.5 0
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143633 53238497 1 FON9C25H34 ABC9D25E34 35.98 3.41 -8.59 -0.8 0
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143634 53238667 1 SF2O3N4C18H18 AB2C3D4E18F18 -145.07 4.06 -9.44 -0.98 0
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143635 53238767 1 ClS2N7O8C42H56 AB2C7D8E42F56 -255.53 8.27 -8.87 -1.37 0