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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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