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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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315453 126626775 1 O2N5C26H31 A2B5C26D31 -31.03 8.01 -8.62 -0.52 0
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315456 126626787 1 O2F7H13C22 A2B7C13D22 -350.9 4.31 -9.57 -0.82 0
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315457 126626798 1 O2F9H27C29 A2B9C27D29 -503.11 6.57 -9.52 -0.75 0
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315458 126626830 1 NO3C31H39 AB3C31D39 -79.1 7.86 -8.02 -0.39 0
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315459 126626834 1 SN2O2C16H16 AB2C2D16E16 20.33 1.53 -8.24 -1.09 0
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315461 126626850 1 IN2O2C8H13 AB2C2D8E13 -87.25 5.06 -9.84 -1.57 0
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315462 126626852 1 FN2O3C25H27 AB2C3D25E27 -89.69 3.72 -8.64 -0.17 0
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315463 126626877 1 FSO4C31H35 ABC4D31E35 -164.33 4.86 -8.6 -0.16 0
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315465 126626882 1 FON2H23C26 ABC2D23E26 28.75 4.72 -8.59 -0.41 0
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315466 126626885 1 NC152H189 AB152C189 101.14 0.65 -7.72 -0.14 0
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315467 126626892 1 N4C33H42 A4B33C42 60.86 8.58 -8.38 -0.63 0
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315468 126626893 2 ON3C8H14 AB3C8D14 -66.27 4.26 -9.38 -0.53 0
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315469 126626894 1 ON5C26H55 AB5C26D55 -108.83 5.25 -8.7 1.2 0
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315470 126626895 1 FO5C34H37 AB5C34D37 -208.7 5.5 -8.73 -0.2 0
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315471 126626896 1 ON5C12H29 AB5C12D29 -38.09 5.14 -9.06 0.94 0
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315472 126626897 1 OF3H13C16 AB3C13D16 -158.26 2.97 -9.01 -0.61 0
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315473 126626898 1 N7C15H37 A7B15C37 24.08 3.31 -8.36 1.54 0
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315476 126626916 1 BrSO2C14H19 ABC2D14E19 -75.58 3.25 -8.43 0.19 0
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315477 126626934 1 BrFH8C9 ABC8D9 -33.56 1.28 -9.56 -0.22 0
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315478 126626948 1 FN3O3H30C31 AB3C3D30E31 -67.44 11.45 -8.93 -0.24 0
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315480 126626953 1 F3O4C31H31 A3B4C31D31 -261.85 3.79 -8.86 -0.69 0
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315481 126626956 1 O2H5C8F9 A2B5C8D9 -552.73 3.61 -11.98 -1.52 0
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315482 126626959 1 PC8H13 AB8C13 20.53 1.94 -9.05 1.12 0
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315483 126626967 1 OF7C11H11 AB7C11D11 -394.49 4.9 -10.77 0.03 0
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315484 126626997 1 O2N3C31H37 A2B3C31D37 -21.99 7.72 -7.95 -0.26 0
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315485 126627021 1 F4H26C27 A4B26C27 -160.37 4.68 -9.2 -0.36 0
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315486 126627040 1 BrF3C5H8 AB3C5D8 -174.92 3.6 -11.18 -1.22 0
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315487 126627062 1 SO2C72H80 AB2C72D80 -22.4 3.42 -8.14 -0.99 0
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315488 126627096 1 NO3C8H17 AB3C8D17 -138.19 2.52 -9.29 1.84 0
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315489 126627116 2 NC12H13 AB12C13 158.66 2.76 -8.06 -0.39 0
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315490 126627122 1 O2C11H22 A2B11C22 -130.06 1.46 -9.82 0.74 0
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315491 126627140 2 ON2C15H18 AB2C15D18 13.48 3.94 -8.72 -0.41 0
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315493 126627144 1 NC18H29 AB18C29 42.02 2.69 -8.34 0.59 0
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315494 126627153 1 NC7H13 AB7C13 21.87 2.04 -8.87 2.53 0
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315496 126627188 1 N2O7C27H50 A2B7C27D50 -373.77 5.64 -9.97 0.24 0
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315497 126627203 2 FNO2C15H17 ABC2D15E17 -241.24 6.64 -9.34 -0.91 0
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315499 126627217 1 FN2O3C30H35 AB2C3D30E35 -144.64 1.29 -9.34 -0.62 0
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315500 126627218 1 N5H13C16 A5B13C16 120.68 8.61 -8.87 -1.16 0
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315501 126627253 2 NC5H11 AB5C11 -8.53 1.8 -8.86 0.88 0
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315504 126627285 1 BrNC10H18 ABC10D18 -11.12 3.52 -9.56 -0.41 0
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315506 126627288 1 BrNO2C12H14 ABC2D12E14 -55.04 4.61 -9.38 -0.3 0
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315507 126627289 1 BrN2C6H9 AB2C6D9 25.52 2.93 -8.35 0.13 0
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315509 126627292 1 FPO3N4C28H32 ABC3D4E28F32 -108.12 5.13 -9.17 -1.4 0
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315510 126627293 1 NOC10H13 ABC10D13 0.18 2.01 -9.24 -0.12 0
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315511 126627294 1 FN4O4C28H33 AB4C4D28E33 -149.35 7.85 -9.11 -0.81 0
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315513 126627296 1 FSN2O4C28H29 ABC2D4E28F29 -169.29 7.08 -8.99 -0.79 1
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315515 126627298 1 BrSN2F3O3H12C17 ABC2D3E3F12G17 -184.1 8.56 -8.87 -1.6 0
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315516 126627299 1 N3O4C38H45 A3B4C38D45 -65.05 4.02 -8.23 -0.42 0
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315518 126627302 1 FN3O4C32H34 AB3C4D32E34 -118.61 6.32 -8.58 -0.74 0
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315519 126627303 1 ClN3O4H16C19 AB3C4D16E19 -80.62 5.97 -8.98 -1.14 0
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315520 126627307 1 FN3O4C33H36 AB3C4D33E36 16.37 5.51 -8.39 -0.47 0
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315521 126627308 1 FN3O4C32H34 AB3C4D32E34 -77.58 6.22 -7.88 -1.13 0
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315522 126627315 1 N3O3C8H13 A3B3C8D13 -126.75 2.02 -9.45 -0.09 0
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315523 126627320 1 ON5C12H13 AB5C12D13 19.05 3.65 -8.94 -0.95 0
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315524 126627322 1 ON7C9H13 AB7C9D13 34.33 4.48 -8.82 -0.65 0
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315525 126627327 1 FON6C13H15 ABC6D13E15 -27.53 3.25 -8.92 -0.83 0
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315527 126627375 1 FSO2N3C27H32 ABC2D3E27F32 -97.79 5.87 -9.22 -1.63 0
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315528 126627379 1 N2O7C17H24 A2B7C17D24 -269.94 4.85 -8.55 -0.1 0
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315531 126627440 1 FSO3N4H25C31 ABC3D4E25F31 -36.87 7.44 -8.11 -1.11 0
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315535 126627504 1 O3N4H24C32 A3B4C24D32 28.98 9.58 -8.67 -1.24 0
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315536 126627510 1 N3O4C33H37 A3B4C33D37 -79.19 6.9 -8.46 -0.6 0
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315537 126627520 1 N3O4C19H25 A3B4C19D25 -138.31 8.24 -8.95 -1.07 0
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315538 126627522 1 F2N3O4H27C30 A2B3C4D27E30 -154.56 3.29 -8.32 -0.79 0
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315539 126627523 1 OF2C13H20 AB2C13D20 -164.53 4.12 -10.33 0.22 0
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315540 126627525 2 N2O3C16H21 A2B3C16D21 -174.56 7.8 -8.51 -1.13 0
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315541 126627526 1 O2N5C23H27 A2B5C23D27 -25.48 6.41 -8.14 -0.34 0
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315542 126627527 1 F2O3N4H28C30 A2B3C4D28E30 -107.29 3.6 -8.17 -0.8 0
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315543 126627528 1 N3O4C22H29 A3B4C22D29 -124.21 8.68 -8.96 -1.07 0
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315544 126627529 1 N4O4C37H40 A4B4C37D40 -24.05 4.81 -8.43 -0.62 0
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315545 126627531 1 N4O4C33H34 A4B4C33D34 -41.1 8.64 -8.65 -0.8 0
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315546 126627540 1 N4O4C29H32 A4B4C29D32 -82.73 2.6 -8.17 -0.73 0
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315547 126627564 2 N2H15C24 A2B15C24 254.92 6.62 -8.11 -0.99 0
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315549 126627574 2 N2H15C23 A2B15C23 233.62 1.42 -8.22 -1.01 0
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315550 126627577 1 N3H35C53 A3B35C53 246.15 2.73 -8.17 -0.76 0
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315551 126627580 2 N2H15C24 A2B15C24 253.18 5.87 -8.09 -1.07 0