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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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309529 126547069 1 NOC20H39 ABC20D39 -98.56 1.87 -8.98 1.54 1
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309530 126547074 1 ClSN3O9C47H53 ABC3D9E47F53 -237.33 10.69 0.0 0.0 0
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309531 126547104 1 SO3N5C25H45 AB3C5D25E45 -129.25 4.64 -8.63 -0.39 0
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309532 126547105 1 O3N5C23H41 A3B5C23D41 -132.34 2.7 -8.89 -0.38 1
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309533 126547153 1 S2N8O14C70H79 A2B8C14D70E79 -322.11 19.96 0.0 0.0 0
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309534 126547186 1 NC11H19 AB11C19 -17.28 2.06 -8.38 1.34 0
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309535 126547189 1 BrClSN2C17H18 ABCD2E17F18 37.15 4.55 -8.52 -0.42 0
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309536 126547250 1 FN3O3H16C17 AB3C3D16E17 -95.4 4.28 -8.89 -1.12 0
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309537 126547255 1 N8O8C47H58 A8B8C47D58 -261.39 6.59 -8.76 -0.6 0
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309538 126547372 2 NO2C6H7 AB2C6D7 -66.27 1.83 -9.1 -0.68 0
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309539 126547382 1 NC21H27 AB21C27 52.39 2.81 -7.89 -0.21 0
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309540 126547484 1 NO7C20H33 AB7C20D33 -315.27 5.61 -9.88 -0.48 0
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309541 126547515 1 NO4C14H17 AB4C14D17 -98.33 2.85 -9.21 -0.45 0
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309542 126547578 1 OSN4C24H30 ABC4D24E30 56.17 5.1 -8.68 -0.46 0
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309543 126547630 1 NO2C7H11 AB2C7D11 -63.71 1.96 -10.34 -0.88 0
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309544 126547644 1 SN2C7O7H8 AB2C7D7E8 -110.28 5.58 -11.12 -2.24 0
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309545 126547697 1 SN2O7C29H38 AB2C7D29E38 -296.18 6.64 -8.61 -1.38 0
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309552 126548031 1 N3H45C73 A3B45C73 325.33 4.18 -8.48 -1.09 0
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309553 126548127 1 O4C27H28 A4B27C28 -83.0 0.64 -8.85 -0.23 0
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309556 126548235 2 NC10H21 AB10C21 -47.14 1.69 -7.97 2.46 0
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309557 126548377 1 F6O8C29H46 A6B8C29D46 -742.15 4.85 -10.68 -0.14 0
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309558 126548468 1 ClSN2O5C33H43 ABC2D5E33F43 -170.5 9.56 -8.01 -0.44 0
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309559 126548517 1 ClSN2O5C35H47 ABC2D5E35F47 -158.46 3.13 -9.27 -0.72 0
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309560 126548615 1 O2F3C16H21 A2B3C16D21 -246.58 4.08 -10.62 -0.13 0
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309561 126548633 1 NH43C58 AB43C58 223.06 2.19 -7.96 -0.53 0
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309562 126548645 1 NH49C65 AB49C65 252.35 2.16 -7.89 -0.42 0
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309563 126548674 1 NOH49C64 ABC49D64 212.15 3.37 -7.9 -0.7 0
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309564 126548758 1 N4H16C25 A4B16C25 150.76 4.52 -8.61 -1.34 0
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309565 126548795 2 O2C8H13 A2B8C13 -210.48 5.65 -10.17 1.15 0
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309566 126548832 1 NH41C56 AB41C56 215.37 1.04 -8.06 -0.49 0
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309567 126548916 1 ClSN2O5C31H41 ABC2D5E31F41 -187.44 10.72 -8.54 -0.4 0
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309568 126548937 2 NC5H9 AB5C9 29.64 3.1 -8.96 0.04 0
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309569 126548974 1 NC11H13 AB11C13 49.82 1.08 -8.56 0.26 0
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309570 126548996 1 NC10H21 AB10C21 -14.28 1.7 -8.9 1.33 0
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309571 126549015 1 ClON2C7H9 ABC2D7E9 3.22 4.84 -8.66 -0.74 0
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309572 126549019 1 SF3O5H21C22 AB3C5D21E22 -323.5 4.95 -8.87 -1.17 0
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309573 126549027 1 SF2N6O9C33H44 AB2C6D9E33F44 -421.1 5.42 -9.18 -1.06 0
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309574 126549160 1 O7C30H34 A7B30C34 -258.04 2.87 -8.82 -0.07 1
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309575 126549226 1 N4O6C25H25 A4B6C25D25 -130.64 11.69 0.0 0.0 0
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309576 126549261 2 NOC7H10 ABC7D10 -9.1 10.53 -8.65 -0.65 0
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309577 126549262 1 NO2C18H27 AB2C18D27 -118.68 4.66 -8.39 0.05 0
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309578 126549341 1 NSC11H17 ABC11D17 15.92 1.76 -9.16 -0.61 0
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309579 126549397 1 ClO4N6C27H35 AB4C6D27E35 -96.77 3.02 -8.89 -0.47 0
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309580 126549399 1 SN6O7C32H60 AB6C7D32E60 -361.11 7.6 -8.69 -0.06 0
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309581 126549417 1 IN2C10H15 AB2C10D15 21.41 2.71 -8.72 -2.4 0
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309582 126549444 1 IN3C4H4 AB3C4D4 66.16 1.79 -9.09 -2.73 0
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309583 126549561 1 ON3C33H39 AB3C33D39 20.69 5.69 -8.18 0.04 0
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309584 126549570 1 OSN2C5H10 ABC2D5E10 -32.47 3.14 -9.38 -0.5 0
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309585 126549581 2 NOC17H17 ABC17D17 -0.15 7.01 -8.33 -0.34 0
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309588 126549707 1 N2O3C17H22 A2B3C17D22 -120.3 7.58 -8.75 -1.03 0
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309589 126549756 2 SH14C23 AB14C23 197.74 0.15 -8.33 -1.16 0
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309591 126549852 1 SO5F6H10C13 AB5C6D10E13 -479.57 3.76 -10.37 -1.18 0
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309592 126549915 1 F2N3O6H19C21 A2B3C6D19E21 -285.68 2.82 -9.89 -1.02 0
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309593 126549920 1 OF2N2H26C27 AB2C2D26E27 -65.7 4.13 -8.83 -0.18 0
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309594 126549967 1 PO5N6C20H27 AB5C6D20E27 -177.63 5.61 -8.79 -0.24 0
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309595 126550198 1 SF3O4N6C28H33 AB3C4D6E28F33 -254.45 7.1 -8.51 -0.97 0
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309596 126550324 1 ClFO3N6C12H12 ABC3D6E12F12 -74.91 5.43 -8.9 -0.64 0
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309597 126550343 1 FCl2N5O7C20H26 AB2C5D7E20F26 -325.24 5.49 -9.58 -1.16 0
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309598 126550447 1 O2C27H32 A2B27C32 -67.57 1.6 -8.71 0.2 0
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309599 126550450 1 PN2O2C4H9 AB2C2D4E9 -62.42 4.56 -9.44 0.36 0
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309600 126550457 1 N2O2H62C81 A2B2C62D81 228.25 1.33 -7.68 -0.87 0
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309601 126550534 1 NOH15C22 ABC15D22 66.27 1.19 -8.19 -0.95 0
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309602 126550555 1 NOH15C22 ABC15D22 65.37 1.01 -8.23 -1.0 0
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309603 126550599 1 FO2N6H27C28 AB2C6D27E28 15.59 10.05 -8.65 -0.71 0
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309605 126550695 1 F3C21H31 A3B21C31 -190.21 3.26 -9.18 1.32 0
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309606 126550708 1 NSC11H17 ABC11D17 17.73 0.33 -9.02 -0.64 0
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309607 126550726 1 SN4O11C31H38 AB4C11D31E38 -444.99 3.58 -9.72 -0.8 0
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309608 126550730 2 F3N3H5C8 A3B3C5D8 -197.37 9.13 -9.86 -1.83 0
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309609 126550762 1 ON4H30C43 AB4C30D43 169.5 3.64 -7.94 -1.33 0
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309610 126550783 1 ON4H24C40 AB4C24D40 192.08 2.86 -8.05 -1.44 0
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309611 126550807 5 NH3C4 AB3C4 149.65 4.25 -10.25 -1.8 0
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309612 126550871 1 OF3C9H11 AB3C9D11 -198.52 3.22 -9.41 0.33 0
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309613 126550885 1 SN4O5C20H22 AB4C5D20E22 -106.11 4.17 -8.96 -0.96 0
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309614 126550891 2 OH13C23 AB13C23 139.99 0.79 -8.41 -1.06 0
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309615 126550919 1 SN2O2H34C57 AB2C2D34E57 263.23 3.98 -8.47 -1.22 0