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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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394412 135022926 2 N2H8C9 A2B8C9 103.33 6.02 -8.77 -0.61 0
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394413 135022927 1 N4H16C21 A4B16C21 130.06 5.27 -8.58 -0.68 0
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394414 135022928 1 N5H11C15 A5B11C15 139.85 3.4 -9.15 -0.96 0
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394415 135022929 1 N5H13C16 A5B13C16 129.99 4.02 -9.08 -0.84 0
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394416 135022930 3 N2H4C5 A2B4C5 158.93 5.49 -9.1 -1.0 0
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394417 135022931 1 BrO4C17H25 AB4C17D25 -190.77 2.23 -9.66 -0.41 0
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394418 135022932 1 N4H24C33 A4B24C33 228.31 4.82 -8.97 -0.76 1
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394419 135022933 1 PO2N5C15H27 AB2C5D15E27 -103.07 5.43 0.0 0.0 0
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394420 135022964 1 SiO3C19H36 AB3C19D36 -187.44 2.07 -8.74 1.17 0
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394421 135022973 1 SN3O5C24H25 AB3C5D24E25 -144.16 10.64 -8.38 -0.58 0
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394422 135022974 1 NPO2H22C23 ABC2D22E23 -44.69 5.44 -8.42 -0.18 0
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394423 135022975 1 PdN2O2Cl6C8H8 AB2C2D6E8F8 -33.21 6.0 -7.92 -0.64 1
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394424 135022979 1 NSiO3C16H30 ABC3D16E30 -190.62 2.62 0.0 0.0 0
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394425 135022981 1 O13C30H42 A13B30C42 -536.9 4.54 -9.71 -0.12 0
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394427 135022983 1 BrO13C30H43 AB13C30D43 -524.22 5.52 -9.48 -1.03 1
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394428 135022984 1 OC7H9 AB7C9 -13.41 1.91 0.0 0.0 0
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394429 135022987 1 ON2H18C20 AB2C18D20 27.8 8.19 -9.26 -0.67 0
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394430 135022988 1 N2O3H22C30 A2B3C22D30 44.93 4.64 -9.05 -0.72 0
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394431 135022989 1 ClNO11C21H24 ABC11D21E24 -467.46 4.98 -9.36 -0.41 0
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394432 135022990 1 OC10H12 AB10C12 -23.85 4.24 -9.82 -0.2 0
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394433 135022991 2 OC6H7 AB6C7 -21.92 4.48 -9.56 0.1 0
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394434 135022992 1 O2C13H14 A2B13C14 -13.6 4.5 -9.43 0.2 0
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394435 135022994 1 O2C15H16 A2B15C16 -24.56 1.98 -8.41 0.16 0
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394436 135023000 1 Si2O3C25H48 A2B3C25D48 -259.07 2.03 -8.58 0.03 0
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394437 135023001 1 Si2O5C36H60 A2B5C36D60 -294.45 2.17 -8.64 -0.16 1
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394438 135023002 1 OSiC7H10 ABC7D10 63.9 3.37 -7.89 -1.68 0
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394439 135023003 1 OSiC7H11 ABC7D11 42.09 5.12 0.0 0.0 0
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394441 135023005 1 NSO7C29H39 ABC7D29E39 -250.36 3.89 -9.11 -0.4 0
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394442 135023006 1 F2O2H10C13 A2B2C10D13 -116.58 3.6 -10.29 -0.73 0
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394443 135023007 1 NSiF3O4C25H36 ABC3D4E25F36 -375.96 5.04 -8.82 -0.24 0
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394444 135023008 1 O2C17H20 A2B17C20 -45.34 3.82 -9.4 -0.06 0
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394445 135023009 1 O6C37H42 A6B37C42 -164.63 2.58 -9.33 0.13 0
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394446 135023010 2 O3C8H15 A3B8C15 -255.87 3.09 -9.45 1.08 0
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394447 135023011 1 O2C15H16 A2B15C16 -41.47 3.73 -9.34 -0.05 0
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394448 135023012 1 NO4C13H15 AB4C13D15 -138.05 1.59 -8.81 0.1 0
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394449 135023013 1 NC21H23 AB21C23 37.73 2.41 -9.06 -0.5 0
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394450 135023014 1 NH17C19 AB17C19 77.13 2.47 -9.09 -0.6 0
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394451 135023015 1 N5H23C25 A5B23C25 148.71 5.0 -8.76 -0.84 0
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394452 135023016 1 ON5H17C22 AB5C17D22 132.03 6.6 -8.39 -0.88 0
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394453 135023017 2 O2C6H7 A2B6C7 -115.4 4.49 -9.82 -0.11 0
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394454 135023018 1 NC15H15 AB15C15 163.84 1.4 -9.12 0.15 0
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394455 135023019 1 N2O3C23H26 A2B3C23D26 -88.25 2.89 -7.93 -0.64 0
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394456 135023020 1 BrSiC16H21 ABC16D21 19.48 0.78 -9.02 -0.03 0
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394457 135023021 2 ClOC9H9 ABC9D9 -60.52 5.23 -9.26 -0.27 0
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394458 135023022 1 N2O3H12C15 A2B3C12D15 -58.82 1.64 -9.18 -1.96 0
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394459 135023023 1 O4C15H24 A4B15C24 -182.56 2.48 -9.28 0.41 0
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394460 135023024 1 O4C17H20 A4B17C20 -125.65 4.65 -8.29 -0.45 0
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394461 135023025 1 O5C17H20 A5B17C20 -158.8 2.07 -7.96 -0.47 -1
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394462 135023026 1 SiS2C9H15 AB2C9D15 3.73 1.84 0.0 0.0 0
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394464 135023028 2 NO3C12H13 AB3C12D13 -117.36 6.05 -8.58 -0.82 0
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394465 135023030 1 N3O6C26H35 A3B6C26D35 -242.78 5.68 -9.49 -0.29 0
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394466 135023031 1 NSiF3O4C23H32 ABC3D4E23F32 -368.61 8.55 -9.26 -0.32 0
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394467 135023032 3 SN2O4H26C27 AB2C4D26E27 -196.0 9.13 -8.88 -0.86 0
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394468 135023033 1 BrSSiO6C27H35 ABCD6E27F35 -266.1 1.84 -9.03 -1.03 0
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394475 135023040 2 NO7C18H21 AB7C18D21 -502.58 6.19 -9.58 -0.98 1
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394476 135023041 1 N2O14C36H43 A2B14C36D43 -490.93 6.23 0.0 0.0 0
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394477 135023042 1 O13C34H42 A13B34C42 -523.24 7.07 -9.66 -0.26 0
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394478 135023043 2 O7C18H21 A7B18C21 -558.44 3.13 -9.86 -0.1 0
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394479 135023044 7 OC6H6 AB6C6 -152.48 5.3 -9.25 -0.99 0
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394480 135023045 7 OC6H6 AB6C6 -139.83 4.48 -9.11 -0.18 0
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394481 135023046 1 O7C38H40 A7B38C40 -176.06 4.05 -9.28 -0.58 0
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394482 135023063 1 NSO2C27H31 ABC2D27E31 -41.97 5.86 -9.14 -0.29 0
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394483 135023080 1 OC17H18 AB17C18 11.27 1.44 -8.63 0.29 0
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394484 135023082 2 N3O4C16H21 A3B4C16D21 -259.56 7.04 -8.59 -0.5 0
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394485 135023094 2 O3C19H20 A3B19C20 -129.44 5.54 -9.02 0.14 0
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394486 135023095 23 CH2 AB2 -82.43 0.19 -9.9 3.94 0
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394487 135023097 1 SO8H28C33 AB8C28D33 -226.08 4.05 -8.9 -0.85 0
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394489 135023100 1 N2Si2O5C19H38 A2B2C5D19E38 -299.43 2.58 -8.91 -0.71 1
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394490 135023101 1 N2Si2O5C19H39 A2B2C5D19E39 -283.71 5.15 0.0 0.0 0
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394491 135023102 1 Si2O5C19H38 A2B5C19D38 -348.98 5.77 -9.04 0.71 0
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394492 135023103 1 N2O7C20H24 A2B7C20D24 -202.5 2.85 -9.82 -1.04 0
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394493 135023106 1 NSSiO3C24H35 ABCD3E24F35 -128.97 5.53 -8.83 -0.5 0
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394494 135023109 1 F2N3H9C14 A2B3C9D14 9.32 1.89 -9.19 -0.92 0
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394496 135023111 1 NO4C17H19 AB4C17D19 -128.27 3.63 -8.94 -0.22 0
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394497 135023112 1 ClNPdO3C8H14 ABCD3E8F14 -107.67 5.94 -8.95 -0.93 0
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394498 135023113 2 N3C9H14 A3B9C14 71.43 4.86 -8.55 0.78 0
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394499 135023114 1 N6C17H26 A6B17C26 71.35 2.78 -8.34 0.5 0
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394500 135023115 1 BrN6C18H27 AB6C18D27 75.42 9.31 -8.78 0.38 0
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394501 135023116 1 OC13H20 AB13C20 -68.97 3.65 -9.54 0.88 0
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394502 135023117 1 O2C17H22 A2B17C22 29.54 3.7 -8.87 -0.04 0
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394503 135023118 2 N3C9H14 A3B9C14 52.48 6.97 -8.2 0.26 0
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394504 135023119 1 ClN2O2C19H19 AB2C2D19E19 -43.17 3.02 -8.77 -0.67 0
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394505 135023120 1 ON6C21H34 AB6C21D34 13.33 4.38 -7.78 0.55 0
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394506 135023121 1 N2O3C23H28 A2B3C23D28 -107.12 5.35 -8.07 -0.64 0
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394507 135023122 1 Al2O5C32H44 A2B5C32D44 -230.91 7.77 -8.97 -0.11 -1
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394508 135023123 1 AlO5C30H38 AB5C30D38 -162.95 5.71 0.0 0.0 0
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394510 135023125 1 O2N3C21H21 A2B3C21D21 -26.44 1.93 -8.57 -0.11 1
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394511 135023126 1 NOCl3H13C15 ABC3D13E15 1.74 3.66 0.0 0.0 0
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394512 135023127 2 OC5H7 AB5C7 -93.32 5.86 -9.86 0.15 1
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394513 135023128 1 OSiC10H19 ABC10D19 -50.81 1.87 0.0 0.0 0
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394514 135023129 1 OSiC10H20 ABC10D20 -71.73 1.5 -9.73 1.03 0
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394515 135023130 1 ClNOC21H30 ABCD21E30 -64.57 4.87 -9.3 0.21 0
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394516 135023131 1 ClNOC21H30 ABCD21E30 -64.13 5.6 -9.29 0.16 0
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394517 135023132 1 ClNOC20H28 ABCD20E28 -58.52 3.9 -9.3 0.22 0
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394518 135023133 1 N2O5C9H16 A2B5C9D16 -145.06 1.56 -10.48 -1.12 0
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394519 135023134 1 O3C15H16 A3B15C16 -68.79 5.0 -8.94 -0.05 0
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394520 135023135 1 O2H16C19 A2B16C19 2.53 3.54 -9.4 -0.67 0
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394521 135023136 1 O2H16C19 A2B16C19 0.4 4.48 -9.44 -0.9 0
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394522 135023137 1 ON2C11H18 AB2C11D18 -48.34 4.32 -9.23 1.32 0
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394523 135023138 1 NSiO3C15H27 ABC3D15E27 -179.0 1.5 -8.76 -0.03 0