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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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127473 51003411 1 O3C15H16 A3B15C16 -76.15 3.48 -10.1 -0.71 0
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127474 51003412 1 N6O6C11H14 A6B6C11D14 -218.3 3.22 -9.96 -1.15 0
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127475 51003413 1 N8C21H26 A8B21C26 127.33 5.48 -9.2 -0.75 0
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127476 51003414 1 ON8H20C22 AB8C20D22 143.18 4.2 -8.51 -0.76 0
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127477 51003415 1 N4O10C45H74 A4B10C45D74 -491.77 3.55 -8.63 -0.44 0
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127478 51003416 1 N5O10C45H71 A5B10C45D71 -457.24 9.24 -8.55 -0.46 0
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127479 51003417 4 O4C11H18 A4B11C18 -784.55 7.59 -9.79 0.27 0
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127480 51003418 1 O10C19H20 A10B19C20 -382.35 5.42 -9.31 -0.92 0
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127481 51003419 2 NO3C17H22 AB3C17D22 -239.82 7.39 -9.06 -0.72 0
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127482 51003420 1 N2O4H18C19 A2B4C18D19 -50.66 3.54 -9.5 -1.06 0
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127483 51003421 2 O3C9H11 A3B9C11 -260.54 2.09 -9.5 -0.41 0
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127484 51003427 1 NO6C24H29 AB6C24D29 -186.01 5.28 -8.86 -0.12 0
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127485 51003434 4 NOC6H7 ABC6D7 -54.05 5.26 -8.25 -0.44 0
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127486 51003452 1 OC20H34 AB20C34 -69.65 1.89 -8.43 1.74 0
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127487 51003453 1 O3C22H36 A3B22C36 -157.05 1.51 -9.08 1.03 0
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127488 51003454 1 O2F3C16H23 A2B3C16D23 -272.65 2.54 -8.94 -0.04 0
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127489 51003543 1 O4C27H34 A4B27C34 -124.94 4.15 -9.21 -1.69 0
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127490 51003935 1 N2O4C13H20 A2B4C13D20 -145.59 7.5 -9.79 0.43 0
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127491 51004019 7 NO6C9H17 AB6C9D17 -1914.85 9.85 -9.49 0.03 0
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127492 51004212 1 NOC18H27 ABC18D27 -34.45 1.65 -8.47 0.31 0
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127493 51004213 1 O5C8H12 A5B8C12 -192.94 2.5 -10.07 0.23 0
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127494 51004214 1 OSC13H16 ABC13D16 -36.27 2.51 -8.63 -0.13 0
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127495 51004215 1 NO6C16H21 AB6C16D21 -225.38 1.37 -10.29 -0.55 0
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127496 51004216 1 ClNOC27H28 ABCD27E28 15.45 2.53 -8.77 -0.15 0
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127497 51004217 1 N2O2F3C24H27 A2B2C3D24E27 -196.56 4.45 -8.59 -0.97 0
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127498 51004256 1 NO3C20H27 AB3C20D27 -106.32 3.63 -9.43 0.29 0
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127499 51004288 1 NOC18H25 ABC18D25 -29.7 1.66 -8.56 0.35 0
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127500 51004289 1 OC10H14 AB10C14 -20.58 3.73 -10.07 0.71 0
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127501 51004290 2 NOC11H14 ABC11D14 -83.92 4.6 -8.96 -0.36 0
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127502 51004419 1 SiO2C16H28 AB2C16D28 -132.88 1.06 -9.79 1.15 0
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127503 51004442 2 BrO5H13C17 AB5C13D17 -237.91 2.56 -9.57 -1.45 0
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127504 51004443 1 INO2C25H36 ABC2D25E36 -84.18 12.86 -7.1 -0.11 1
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127505 51004444 1 NO2C25H36 AB2C25D36 -60.38 1.98 0.0 0.0 0
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127506 51004445 1 IN2C12H15 AB2C12D15 52.65 1.11 -8.86 -1.21 0
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127507 51004446 1 ClON2S2C15H15 ABC2D2E15F15 15.92 2.73 -9.2 -1.5 0
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127508 51004447 2 O3C8H9 A3B8C9 -199.9 3.24 -8.71 -0.68 0
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127509 51004448 11 O5C6H10 A5B6C10 -2403.35 12.61 -9.33 -0.49 0
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127510 51004449 1 N3O7C35H39 A3B7C35D39 -159.81 7.43 -9.21 -0.23 0
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127511 51004450 1 O2N3Cl6H19C32 A2B3C6D19E32 63.82 1.76 -8.95 -1.78 0
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127512 51004451 1 NO2C12H15 AB2C12D15 -55.87 2.59 -10.2 0.13 0
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127513 51004474 1 O3C18H28 A3B18C28 -159.81 3.47 -9.38 0.69 0
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127514 51004682 1 BrO2C14H19 AB2C14D19 -86.85 1.49 -10.2 -0.07 0
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127515 51004683 4 O2C5H5 A2B5C5 -286.05 1.31 -10.03 -1.0 0
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127516 51004689 1 NOC22H35 ABC22D35 -65.9 2.77 -8.8 0.5 0
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127517 51004690 1 N6O36C61H86 A6B36C61D86 -1471.58 4.6 -9.38 -1.47 0
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127518 51004691 1 FOC14H15 ABC14D15 -64.8 3.8 -9.48 0.08 0
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127519 51004695 1 SiO6C13H24 AB6C13D24 -324.03 3.85 -9.02 0.18 0
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127520 51004696 1 ClOC11H17 ABC11D17 -70.57 2.09 -9.54 0.7 0
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127521 51004843 2 O3H15C25 A3B15C25 24.21 4.09 -8.44 -2.03 0
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127522 51004844 1 N3O4C10H11 A3B4C10D11 -88.16 4.24 -9.87 -0.82 0
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127523 51004905 1 NO2C22H27 AB2C22D27 -56.36 3.28 -8.47 -0.42 0
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127524 51004906 2 NOC3H6 ABC3D6 -79.43 3.39 -9.3 1.88 0
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127525 51004907 2 NOC3H6 ABC3D6 -79.44 3.02 -9.28 1.73 0
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127526 51004908 1 SO5C16H16 AB5C16D16 -137.53 2.22 -8.97 -1.06 1
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127527 51004910 1 ON2C18H25 AB2C18D25 -14.04 3.39 0.0 0.0 0
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127528 51005056 1 OC11H14 AB11C14 -13.61 3.37 -9.96 0.75 0
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127529 51005098 2 OH11C13 AB11C13 27.72 3.35 -9.44 -0.03 0
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127530 51005135 1 NO4C21H27 AB4C21D27 -157.17 3.1 -9.59 0.11 0
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127531 51005147 1 NO5C17H23 AB5C17D23 -185.99 1.43 -9.07 0.18 0
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127532 51005148 1 NO7C19H29 AB7C19D29 -351.91 2.72 -9.35 0.16 0
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127533 51005225 1 NO2C17H23 AB2C17D23 -81.69 2.56 -9.49 0.22 0
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127534 51005239 1 SO6C17H22 AB6C17D22 -231.11 4.98 -9.77 -0.82 1
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127536 51005349 3 NOC6H7 ABC6D7 -52.6 7.02 -9.4 -0.52 0
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127537 51005350 3 NOC6H7 ABC6D7 -56.71 3.41 -9.66 -0.78 0
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127538 51005510 1 NOC20H29 ABC20D29 -28.1 1.53 -8.86 0.35 0
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127539 51005632 1 ClNOC10H14 ABCD10E14 -55.12 4.95 -10.2 -0.26 0
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127540 51005658 1 NO3C13H19 AB3C13D19 -140.43 6.16 -9.71 0.59 -1
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127541 51005659 1 NO3C13H18 AB3C13D18 -120.03 2.01 0.0 0.0 0
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127542 51005693 1 N2O5H18C19 A2B5C18D19 -137.86 6.91 -9.18 -0.86 0
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127543 51005727 2 NO2C9H11 AB2C9D11 -110.9 2.28 -9.2 -0.2 0
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127544 51005736 1 SO2C16H18 AB2C16D18 -40.26 0.79 -8.88 -0.35 0
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127545 51005818 1 O2C13H20 A2B13C20 -106.75 2.14 -9.64 0.88 0
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127546 51005819 1 OC14H20 AB14C20 -23.86 2.3 -8.96 0.71 0
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127547 51005820 1 NSF3O4C27H30 ABC3D4E27F30 -285.81 6.02 -9.84 -1.23 0
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127548 51005821 1 BrO2H19C23 AB2C19D23 15.84 5.08 -9.22 -0.73 0
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127549 51005822 2 NC12H15 AB12C15 68.83 1.07 -8.6 0.4 0
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127550 51005887 1 SN3O4C36H55 AB3C4D36E55 -193.06 5.2 -8.21 0.11 0
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127551 51005888 2 O3C8H11 A3B8C11 -215.01 2.05 -9.44 -0.68 0
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127552 51005889 1 BrNSO4C21H28 ABCD4E21F28 -144.67 5.05 -9.58 -0.87 0
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127553 51005940 1 NO29H61C96 AB29C61D96 -503.79 13.48 -9.36 -2.8 0
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127554 51005941 1 ON4C16H16 AB4C16D16 117.48 4.45 -8.6 -0.69 0
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127555 51005942 1 O4C17H24 A4B17C24 -147.83 1.96 -9.43 0.22 0
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127556 51005943 2 NO2C12H14 AB2C12D14 -125.37 0.32 -7.84 -0.42 0
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127557 51006021 1 SO4H14C15 AB4C14D15 -98.24 4.88 -10.28 -0.7 0
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127558 51006022 1 O7C24H30 A7B24C30 -246.73 4.28 -9.6 0.38 0
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127559 51006023 1 O5C24H38 A5B24C38 14.08 4.54 -9.3 0.73 0
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127560 51006132 1 ClNO5C18H18 ABC5D18E18 -199.13 9.77 -8.64 -0.24 0
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127561 51006133 1 N2O5C22H26 A2B5C22D26 -151.49 4.71 -8.62 -0.33 0
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127562 51006175 1 NO4H29C31 AB4C29D31 -36.03 5.05 -9.21 -0.19 0
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127563 51006179 1 O9C22H22 A9B22C22 -259.35 2.54 -9.46 -1.21 0
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127564 51006182 1 SN3C20H23 AB3C20D23 123.17 4.47 -8.54 -0.85 0
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127565 51006183 1 SN3C20H23 AB3C20D23 123.49 4.52 -8.53 -0.77 0
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127566 51006202 1 NO5C22H25 AB5C22D25 -177.0 2.74 -8.74 -0.14 0
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127567 51006692 1 ClO3C15H17 AB3C15D17 -74.53 4.08 -9.01 0.1 0
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127568 51006724 1 FN2O3C19H23 AB2C3D19E23 -149.96 6.77 -8.73 -0.29 0
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127569 51006829 1 O6C21H28 A6B21C28 -268.38 4.29 -9.98 -0.85 0
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127570 51006830 1 O7C21H24 A7B21C24 -229.62 2.08 -8.28 -0.25 0
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127571 51007005 1 O2C19H30 A2B19C30 -102.59 1.6 -9.66 0.09 0
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127572 51007006 1 NSO4C21H29 ABC4D21E29 -151.77 5.17 -9.67 -0.51 0
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127573 51007007 1 SiO4C15H28 AB4C15D28 -202.27 2.35 -8.65 0.93 0