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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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40353 8143980 1 O2N4C17H25 A2B4C17D25 -42.49 2.26 0.0 0.0 0
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40354 8143981 1 O2N4C17H24 A2B4C17D24 -61.77 2.4 -8.25 0.06 1
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40355 8143982 1 SO2N4C20H25 AB2C4D20E25 -18.19 8.53 0.0 0.0 1
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40356 8143987 1 SN6C18H21 AB6C18D21 158.21 3.82 0.0 0.0 0
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40357 8143988 1 SN6C18H20 AB6C18D20 144.62 0.95 -8.54 -0.83 0
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40358 8143989 1 O2N3H17C18 A2B3C17D18 83.56 6.7 -8.55 -1.6 1
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40359 8143990 1 ClSO2N4C20H24 ABC2D4E20F24 -26.41 13.2 0.0 0.0 0
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40360 8143991 1 ClSO2N4C20H23 ABC2D4E20F23 -39.46 4.76 -9.03 -1.28 0
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40361 8143992 1 ClO2N3H18C24 AB2C3D18E24 50.79 6.34 -8.85 -1.05 0
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40362 8143993 1 NSO3H13C20 ABC3D13E20 -8.79 4.09 -9.08 -1.3 1
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40363 8143994 1 SN4C15H21 AB4C15D21 78.05 4.33 0.0 0.0 0
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40364 8143995 1 SN4C15H20 AB4C15D20 65.48 5.09 -8.05 0.25 1
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40365 8143996 1 SO2N4C17H25 AB2C4D17E25 -49.11 4.31 0.0 0.0 0
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40366 8143999 1 SN5C19H21 AB5C19D21 124.17 3.55 -8.29 -0.75 1
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40367 8144002 1 S2N5C21H26 A2B5C21D26 96.5 11.73 0.0 0.0 0
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40368 8144003 1 S2N5C21H25 A2B5C21D25 104.9 5.55 -8.28 -0.91 1
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40369 8144004 1 ClO2N4C16H22 AB2C4D16E22 -49.26 4.25 0.0 0.0 0
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40370 8144005 1 ClO2N4C16H21 AB2C4D16E21 -68.29 8.27 -9.27 -0.72 0
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40371 8144006 2 N2H9C10 A2B9C10 113.28 4.54 -7.78 -0.51 0
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40372 8144008 1 ClO2N3H18C19 AB2C3D18E19 -3.68 4.33 -8.59 -1.66 1
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40373 8144009 1 N4O4C18H27 A4B4C18D27 -112.44 7.99 0.0 0.0 0
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40374 8144010 2 N2O2C9H13 A2B2C9D13 -126.78 4.72 -8.61 -0.68 0
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40375 8144012 1 S2N5C21H25 A2B5C21D25 104.81 5.37 -8.33 -0.99 0
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40376 8144014 1 S2N5C20H23 A2B5C20D23 114.9 5.15 -8.2 -1.02 1
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40377 8144015 1 S2N5C22H28 A2B5C22D28 99.62 13.34 0.0 0.0 0
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40378 8144017 1 SN2O2H22C25 AB2C2D22E25 -2.68 5.45 -8.9 -0.72 0
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40379 8144018 1 BrO2N4C17H17 AB2C4D17E17 -6.46 5.18 -9.01 -0.86 1
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40380 8144019 1 SO2N4C22H29 AB2C4D22E29 -33.77 8.92 0.0 0.0 0
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40381 8144020 1 SO2N4C22H28 AB2C4D22E28 -52.79 4.51 -8.49 -0.67 1
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40382 8144021 1 FO2N3C19H19 AB2C3D19E19 -28.54 9.65 0.0 0.0 0
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40383 8144022 1 FO2N3H18C19 AB2C3D18E19 -40.9 4.31 -8.3 -1.69 0
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40384 8144023 1 SN2O2H22C25 AB2C2D22E25 -6.48 4.38 -8.94 -0.79 1
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40385 8144024 1 O2S2N4C19H25 A2B2C4D19E25 -26.36 5.62 0.0 0.0 0
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40386 8144025 1 O2S2N4C19H24 A2B2C4D19E24 -38.24 1.97 -8.6 -1.05 0
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40387 8144027 1 OS2N5C20H23 AB2C5D20E23 82.34 6.09 -8.2 -0.84 1
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40388 8144029 1 S2N5C20H24 A2B5C20D24 137.78 12.49 0.0 0.0 0
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40389 8144032 1 SN4O4C17H24 AB4C4D17E24 -154.67 7.87 -9.0 -1.28 1
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40390 8144033 1 OS2N5C20H24 AB2C5D20E24 73.61 12.06 0.0 0.0 0
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40391 8144035 1 N3O3C24H25 A3B3C24D25 -71.9 4.4 -8.64 -0.76 1
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40392 8144036 1 SO3N4C18H23 AB3C4D18E23 -50.74 6.58 0.0 0.0 0
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40393 8144037 1 SO3N4C18H22 AB3C4D18E22 -64.76 4.6 -8.55 -1.04 1
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40394 8144038 1 OSN6C19H23 ABC6D19E23 117.55 2.63 0.0 0.0 0
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40395 8144039 1 OSN6C19H22 ABC6D19E22 103.58 1.94 -8.36 -0.73 1
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40396 8144040 1 O3N4C18H23 A3B4C18D23 -40.72 10.26 0.0 0.0 1
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40397 8144045 1 SN5C20H24 AB5C20D24 123.73 5.1 0.0 0.0 0
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40398 8144046 1 SN5C20H23 AB5C20D23 111.93 4.54 -8.25 -0.62 0
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40399 8144048 1 S2N5C21H25 A2B5C21D25 106.18 6.18 -8.3 -0.88 1
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40400 8144049 1 SN6C18H23 AB6C18D23 118.48 3.12 0.0 0.0 0
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40401 8144050 1 SN6C18H22 AB6C18D22 102.18 3.49 -8.26 -1.04 1
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40402 8144054 1 ClOSN4C19H20 ABCD4E19F20 79.24 5.12 0.0 0.0 0
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40403 8144055 1 ClOSN4C19H19 ABCD4E19F19 63.49 3.49 -8.39 -1.26 1
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40404 8144056 1 BrO2N3C19H19 AB2C3D19E19 12.59 6.03 0.0 0.0 2
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40405 8144060 1 ClO2N4C22H23 AB2C4D22E23 97.13 13.58 -5.35 -1.04 0
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40406 8144063 1 FOSN4C19H19 ABCD4E19F19 25.24 3.44 -8.35 -1.16 1
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40407 8144064 1 SN6C20H25 AB6C20D25 139.41 1.86 0.0 0.0 1
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40408 8144066 1 O2N4C20H29 A2B4C20D29 -46.54 3.3 0.0 0.0 0
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40409 8144069 1 ON4C25H26 AB4C25D26 73.59 3.52 -8.41 -0.35 1
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40410 8144073 1 O2N4C24H37 A2B4C24D37 -69.03 3.5 0.0 0.0 0
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40411 8144074 2 ON2C12H18 AB2C12D18 -89.05 3.55 -8.18 0.17 0
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40412 8144075 1 SN2O2C21H22 AB2C2D21E22 -47.16 4.21 -9.01 -0.18 1
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40413 8144076 1 O2N4C22H27 A2B4C22D27 -9.47 2.52 0.0 0.0 0
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40414 8144082 2 ON2C10H15 AB2C10D15 -81.4 2.76 -8.18 0.18 0
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40415 8144083 1 SN2O2C21H22 AB2C2D21E22 -51.21 3.18 -9.02 -0.21 1
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40416 8144084 1 O2N4C20H31 A2B4C20D31 -60.6 2.77 0.0 0.0 0
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40417 8144086 1 Cl2N3O3H17C18 A2B3C3D17E18 -67.32 7.66 -9.03 -0.88 1
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40418 8144087 1 O2N4C23H35 A2B4C23D35 -65.79 3.49 0.0 0.0 0
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40419 8144091 1 SN2O2C21H22 AB2C2D21E22 -51.29 3.49 -9.01 -0.2 1
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40420 8144092 1 ClO2N4C22H26 AB2C4D22E26 -19.63 2.13 0.0 0.0 0
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40421 8144093 1 ClO2N4C22H25 AB2C4D22E25 -41.46 2.83 -8.31 -0.45 1
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40422 8144094 1 O3N4C16H19 A3B4C16D19 -23.95 5.11 0.0 0.0 0
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40423 8144098 1 O3N4C22H26 A3B4C22D26 -63.27 4.03 -8.1 -0.35 1
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40424 8144099 1 O3N4C22H27 A3B4C22D27 -46.05 3.48 0.0 0.0 0
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40425 8144100 1 O3N4C22H26 A3B4C22D26 -66.62 4.29 -8.15 -0.2 0
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40426 8144101 1 N3O6H13C19 A3B6C13D19 -36.81 5.25 -9.6 -1.62 1
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40427 8144102 1 O2N4C20H29 A2B4C20D29 -51.76 2.68 0.0 0.0 1
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40428 8144104 1 O2N4C20H29 A2B4C20D29 -51.28 3.35 0.0 0.0 0
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40429 8144105 2 ON2C10H14 AB2C10D14 -69.41 3.41 -8.37 0.09 1
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40430 8144107 1 O2N4C20H29 A2B4C20D29 -52.97 2.5 0.0 0.0 0
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40431 8144110 2 ON2C10H14 AB2C10D14 -70.08 3.73 -8.19 0.07 1
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40432 8144112 1 O2N3C22H26 A2B3C22D26 1.98 14.55 0.0 0.0 1
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40433 8144117 1 SN4C19H23 AB4C19D23 93.88 3.95 0.0 0.0 1
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40434 8144122 1 O2N3C20H22 A2B3C20D22 1.06 6.47 0.0 0.0 0
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40435 8144123 1 O2N3C20H21 A2B3C20D21 -3.92 4.65 -8.56 -1.35 0
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40436 8144124 1 ClN3O3C18H18 AB3C3D18E18 -76.6 4.32 -9.14 -0.47 0
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40437 8144129 1 Cl2N3O3C16H19 A2B3C3D16E19 -98.05 9.37 -8.83 -0.26 0
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40438 8144131 1 FSN5C22H24 ABC5D22E24 79.55 5.45 -8.18 -0.83 1
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40439 8144132 1 S2N3O3C20H24 A2B3C3D20E24 -23.72 3.93 0.0 0.0 0
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40440 8144135 1 OSN5C18H19 ABC5D18E19 83.92 1.68 -8.39 -1.34 1
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40441 8144136 1 O2N3C19H26 A2B3C19D26 -45.67 2.47 0.0 0.0 0
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40442 8144137 1 O2N3C19H25 A2B3C19D25 -66.68 2.52 -8.18 0.12 1
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40443 8144138 1 O2N3C19H26 A2B3C19D26 -45.5 1.96 0.0 0.0 1
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40444 8144140 1 O2N3C19H26 A2B3C19D26 -45.63 2.19 0.0 0.0 0
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40445 8144141 1 O2N3C19H25 A2B3C19D25 -66.65 2.99 -8.15 0.1 1
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40446 8144142 1 O2N3C21H22 A2B3C21D22 21.52 6.66 0.0 0.0 1
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40447 8144144 1 OSN4C20H23 ABC4D20E23 82.81 5.72 0.0 0.0 0
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40448 8144145 1 OSN4C20H22 ABC4D20E22 66.74 3.88 -8.39 -0.44 0
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40449 8144148 1 FON2C20H27 ABC2D20E27 -49.67 1.38 -9.24 -0.23 0
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40450 8144150 1 SN5C20H23 AB5C20D23 108.13 4.54 -8.3 -0.39 1
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40451 8144151 1 SN5C22H26 AB5C22D26 146.83 3.78 0.0 0.0 0
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40452 8144154 1 FSN5C20H22 ABC5D20E22 64.05 2.84 -8.36 -0.81 0