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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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168612 74994481 1 N3O4C6H12 A3B4C6D12 -139.4 10.53 0.0 0.0 -1
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168613 74994857 1 Cl3O4N5C36H37 A3B4C5D36E37 -47.43 1.32 0.0 0.0 0
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168614 74995037 1 Cl2N3O3C25H33 A2B3C3D25E33 -146.6 3.8 -8.53 -1.03 -1
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168615 74995358 1 PN4O9C35H44 AB4C9D35E44 -363.76 12.18 0.0 0.0 0
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168616 74995359 1 PN4O9C27H51 AB4C9D27E51 -561.52 2.54 -9.78 -0.14 0
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168617 74995599 1 NaSN2O5C13H15 ABC2D5E13F15 -179.76 15.96 -7.68 -0.21 0
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168619 74996025 1 Cl2O3N5C24H24 A2B3C5D24E24 -26.74 2.87 0.0 0.0 0
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168620 74996176 1 Cl2N3O4C28H35 A2B3C4D28E35 -158.9 6.14 -8.74 -0.67 0
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168621 74996444 1 N3F4O4C20H21 A3B4C4D20E21 -308.31 13.02 -8.92 -1.11 0
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168622 74996445 2 SO2N3H6C9 AB2C3D6E9 122.91 4.33 -8.74 -1.72 0
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168623 74996446 1 ClNO3C9H16 ABC3D9E16 -180.03 2.02 -10.64 -0.24 0
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168624 74996778 1 NO5C23H27 AB5C23D27 -61.02 3.05 -8.24 -1.14 0
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168625 74997153 1 ClN3O3H10C13 AB3C3D10E13 -30.95 5.55 -10.22 -2.44 0
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168626 74997154 1 N3O5C27H33 A3B5C27D33 -97.14 6.28 -8.23 -0.39 0
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168627 74997162 1 NO5C22H25 AB5C22D25 -164.18 5.89 -8.87 -0.28 0
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168628 74997480 1 NSO3C24H25 ABC3D24E25 -45.56 6.89 -8.53 -0.16 0
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168629 74997613 1 N2O4C25H30 A2B4C25D30 -139.26 2.62 -9.5 -1.49 0
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168630 74997658 1 FNaCl2O5C19H22 ABC2D5E19F22 -274.31 17.02 -8.15 -1.29 0
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168631 74997659 1 FCl2O5C19H23 AB2C5D19E23 -281.3 2.37 -9.33 -0.78 0
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168632 74997660 1 NNaO6C27H42 ABC6D27E42 -354.01 6.7 -9.04 -0.01 0
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168633 74997705 1 N3O6C17H21 A3B6C17D21 -238.11 8.1 -9.47 -0.79 0
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168634 74997706 1 NaO5C21H31 AB5C21D31 -253.94 15.0 -8.51 -0.24 0
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168635 74997707 1 O5C21H32 A5B21C32 -255.42 4.49 -9.01 0.29 0
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168636 74997919 1 FSN2O2C15H19 ABC2D2E15F19 -113.21 0.9 -8.78 -1.16 0
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168637 74997920 1 FSN2O2C12H13 ABC2D2E12F13 -94.61 0.74 -8.83 -1.21 0
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168638 74997921 1 N2S2O3C16H22 A2B2C3D16E22 -97.27 3.4 -8.46 -0.88 0
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168639 74997922 1 N2S2O3C16H22 A2B2C3D16E22 -99.45 2.87 -8.46 -0.88 0
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168640 74997923 1 SN3O4C28H31 AB3C4D28E31 -82.79 2.35 -8.82 -0.06 0
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168641 74997924 1 FSN2O2C15H19 ABC2D2E15F19 -116.27 3.98 -8.75 -1.16 0
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168642 74998013 1 SN3O4C21H31 AB3C4D21E31 -154.83 4.33 -9.08 0.01 1
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168643 74998014 1 ON6C34H53 AB6C34D53 35.14 3.49 0.0 0.0 0
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168644 74998015 1 ON6C34H52 AB6C34D52 17.93 7.25 -8.49 0.39 1
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168645 74998204 1 NO2C19H22 AB2C19D22 -46.56 4.44 0.0 0.0 0
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168646 74998205 1 O3N4C7H16 A3B4C7D16 -136.13 4.71 -9.66 0.26 0
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168647 74998206 2 ON3C12H14 AB3C12D14 3.39 2.98 -9.4 -0.88 0
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168648 74998207 1 ClS2N5O6C19H26 AB2C5D6E19F26 -177.86 3.49 -8.82 -0.53 1
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168649 74998208 1 NO2C21H26 AB2C21D26 -35.91 4.26 0.0 0.0 0
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168650 74998329 1 N5O7C13H19 A5B7C13D19 -237.66 4.68 -10.39 -0.65 0
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168651 74998342 1 N3O4C23H23 A3B4C23D23 -114.44 2.63 -9.04 -0.42 1
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168652 74998919 1 OSN5H18C19 ABC5D18E19 118.26 2.53 0.0 0.0 0
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168653 74998949 1 NaSN2O5C15H21 ABC2D5E15F21 -246.99 11.12 -8.21 -0.44 1
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168654 74998950 1 N6C21H23 A6B21C23 142.73 1.71 0.0 0.0 0
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168655 74999222 1 N2O12C37H68 A2B12C37D68 -583.29 1.96 -8.85 0.45 0
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168656 74999571 1 O2N5H13C21 A2B5C13D21 100.16 3.11 -8.6 -2.55 0
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168657 74999778 2 N2O9C37H43 A2B9C37D43 -619.44 8.22 -8.29 -0.26 -1
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168658 74999855 1 PSO3C19H24 ABC3D19E24 -158.52 0.71 0.0 0.0 0
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168659 74999880 1 SN15O16C54H83 AB15C16D54E83 -716.39 4.52 -8.88 -0.33 0
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168660 74999881 1 SN4O4C22H28 AB4C4D22E28 -156.52 10.57 -8.56 -0.47 0
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168661 74999882 1 NO15C53H59 AB15C53D59 -532.83 12.19 -9.66 -0.79 0
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168662 74999979 1 Cl2N3O9H31C32 A2B3C9D31E32 -331.94 9.09 -9.59 -1.46 0
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168663 74999980 1 NO15C51H55 AB15C51D55 -502.3 9.78 -9.74 -0.88 0
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168664 74999981 1 NO15C52H59 AB15C52D59 -537.75 8.61 -9.5 -0.71 0
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168665 74999982 1 O5N7C32H43 A5B7C32D43 -155.37 2.92 -9.2 -0.58 0
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168666 74999983 1 ClFN3O3C21H23 ABC3D3E21F23 -117.15 14.53 -8.84 -1.04 0
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168667 74999984 1 SO5N7C25H31 AB5C7D25E31 -131.91 4.31 -9.02 -1.6 0
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168668 74999985 1 ClPF3N4O17C43H61 ABC3D4E17F43G61 -988.4 4.31 -9.45 -1.08 0
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168669 74999986 1 SN5O6C27H35 AB5C6D27E35 -189.69 5.93 -9.03 -0.42 0
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168670 75000222 1 FSO4N5C21H22 ABC4D5E21F22 -99.29 12.28 -8.85 -1.21 -1
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168671 75000223 1 Cl2N6C21H23 A2B6C21D23 152.23 4.66 0.0 0.0 0
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168672 75000283 1 N5O7C32H47 A5B7C32D47 -290.34 6.68 -8.8 -0.08 0
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168673 75000325 1 ClO2N4H19C21 AB2C4D19E21 6.5 1.15 -8.94 -0.93 0
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168674 75000507 1 NO8C29H53 AB8C29D53 -166.59 8.02 -6.41 -2.99 0
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168675 75000860 1 N5O7C30H33 A5B7C30D33 -176.35 16.02 -9.32 -2.08 0
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168676 75001109 1 Si2N5O12C49H79 A2B5C12D49E79 -650.04 3.72 -8.79 -0.35 1
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168677 75001289 1 N2O5B10C17H23 A2B5C10D17E23 157.95 2.24 0.0 0.0 0
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168678 75001310 1 O14N18C61H108 A14B18C61D108 -595.74 39.25 -6.23 -1.15 0
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168679 75001372 2 O4C13H19 A4B13C19 -352.74 5.31 -9.52 -0.4 0
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168680 75001564 2 O3C16H22 A3B16C22 -278.19 5.01 -10.1 -0.77 0
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168681 75001620 1 INSO5H20C23 ABCD5E20F23 -107.53 2.1 -9.46 -1.79 0
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168682 75002356 1 SN4O6C26H32 AB4C6D26E32 -185.98 6.07 -8.98 -0.25 0
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168684 75002429 1 NO2S2C23H25 AB2C2D23E25 56.79 1.78 -8.33 -0.71 0
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168685 75002459 1 ClSN4O6C21H29 ABC4D6E21F29 -231.82 3.83 -9.35 -0.48 0
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168686 75002460 1 ClO3N4C20H25 AB3C4D20E25 -90.03 2.49 -9.46 -0.63 0
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168687 75002461 1 INSO2C16H18 ABCD2E16F18 52.94 0.89 -9.12 -1.05 0
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168688 75002616 1 N9O12C44H69 A9B12C44D69 -583.12 7.65 -9.12 -0.16 0
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168689 75002910 1 PN3O7C13H20 AB3C7D13E20 -338.8 6.84 -10.14 -0.36 0
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168690 75003161 1 N3O7H27C35 A3B7C27D35 -61.87 5.73 -8.63 -1.97 0
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168691 75003280 1 O5C26H32 A5B26C32 -215.1 5.31 -8.98 -0.13 0
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168692 75003281 1 O7C25H28 A7B25C28 -292.84 8.69 -9.27 -0.35 0
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168693 75003528 1 NaPN5O7C18H25 ABC5D7E18F25 -375.03 5.86 -9.24 -0.92 0
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168694 75003533 1 N3O4C17H25 A3B4C17D25 -185.0 3.36 -9.49 0.15 0
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168695 75003871 1 NSO5H17C19 ABC5D17E19 -140.57 3.13 -9.07 -1.46 0
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168696 75004026 1 Cl2O2N3H19C25 A2B2C3D19E25 -3.81 8.96 -8.99 -1.02 0
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168697 75004853 1 ClO14N17C74H92 AB14C17D74E92 -441.39 12.07 -7.23 -0.59 0
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168698 75005178 1 SN2F3O5C17H17 AB2C3D5E17F17 -323.02 4.79 -9.43 -1.27 0
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168699 75005179 1 ClSO3N7C39H40 ABC3D7E39F40 62.56 9.12 -9.22 -1.18 0
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168700 75005180 1 ClSO3N7C39H40 ABC3D7E39F40 63.19 9.44 -9.26 -1.24 0
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168701 75005536 1 S2O14N15C45H69 A2B14C15D45E69 -571.65 6.88 -8.73 -1.75 0
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168702 75005537 1 O4C33H36 A4B33C36 -138.29 8.09 -8.73 -0.96 0
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168703 75005538 1 N2O2C31H34 A2B2C31D34 -46.79 5.58 -8.72 -0.42 0
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168704 75005876 1 ClNC18H22 ABC18D22 39.93 19.17 -7.46 -0.94 0
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168705 75005940 1 SN2O2F3H13C16 AB2C2D3E13F16 -144.2 2.88 -9.24 -1.88 0
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168706 75005941 1 SN2O4C15H16 AB2C4D15E16 -74.18 6.46 -8.49 -1.21 0
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168707 75005942 1 N5O7C49H55 A5B7C49D55 -131.92 6.47 -7.58 -0.56 0
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168708 75005943 1 I2O4C39H72 A2B4C39D72 -279.41 3.78 -9.49 -1.12 0
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168709 75005944 1 ClON2H19C20 ABC2D19E20 3.47 6.48 -9.01 -1.13 0
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168710 75006328 1 Cl3N3O5H10C18 A3B3C5D10E18 -71.68 8.04 -9.47 -1.98 0
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168711 75006618 1 KN2O4C15H15 AB2C4D15E15 -116.56 16.21 -8.64 -0.46 0
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168712 75006619 1 N2O4C15H16 A2B4C15D16 -113.05 9.32 -9.54 -1.13 0
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168713 75006730 4 NOC6H7 ABC6D7 -121.17 3.26 -8.78 -0.24 1