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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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146642 53722548 1 SO2N6C21H24 AB2C6D21E24 28.16 9.31 -8.56 -0.98 0
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146643 53722848 1 N3O5C7H7 A3B5C7D7 -147.74 3.15 -9.49 -1.68 0
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146644 53723084 1 N3O3C7H7 A3B3C7D7 -70.17 5.86 -10.2 -1.75 0
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146645 53723175 1 N2S2O3C22H28 A2B2C3D22E28 -80.3 2.23 -8.4 -0.13 0
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146646 53723176 1 SN2O2H18C19 AB2C2D18E19 -18.68 6.42 -8.61 -0.78 0
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146647 53723309 1 N3O5C16H17 A3B5C16D17 -104.07 3.4 -8.75 -1.42 0
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146648 53724174 1 O4C19H28 A4B19C28 -162.39 3.0 -10.05 0.39 0
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146649 53724175 1 N2O3C33H52 A2B3C33D52 -134.48 5.06 -8.25 -0.27 0
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146650 53724176 1 O11C14H20 A11B14C20 -462.49 3.85 -10.4 -0.87 0
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146651 53724582 1 S3O6N9C17H17 A3B6C9D17E17 -52.22 9.9 -8.64 -1.07 0
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146652 53724697 1 O5N6C24H44 A5B6C24D44 -251.66 6.49 -9.52 0.19 0
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146653 53724698 1 N2O2C11H14 A2B2C11D14 -56.68 1.85 -8.89 -0.22 1
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146654 53725588 1 NOC20H26 ABC20D26 18.57 2.86 0.0 0.0 0
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146655 53726044 1 NO5H19C21 AB5C19D21 -135.3 6.76 -8.71 -0.74 0
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146656 53726136 1 NOSH13C14 ABCD13E14 60.67 3.34 -8.67 -0.84 0
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146657 53726840 1 OSCl2N5C16H17 ABC2D5E16F17 24.35 4.53 -8.89 -1.11 0
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146658 53727034 1 NSO3C16H17 ABC3D16E17 -89.93 6.38 -8.26 -0.95 0
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146659 53727111 1 NO3C7H11 AB3C7D11 -121.19 2.98 -10.11 0.45 0
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146660 53727195 1 O2N3C20H21 A2B3C20D21 71.02 6.19 -5.63 -1.59 0
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146661 53727196 2 NC7H10 AB7C10 25.52 4.72 -7.89 0.06 0
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146662 53727197 1 NO3C21H27 AB3C21D27 -79.98 2.04 -8.31 0.05 0
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146663 53727427 1 O8C25H44 A8B25C44 -436.6 2.07 -10.61 0.46 0
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146664 53727481 1 ClSN2O5C19H23 ABC2D5E19F23 -145.55 7.81 -8.96 -0.13 0
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146665 53727482 3 OC7H8 AB7C8 -79.77 0.93 -8.6 -0.32 1
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146666 53727798 1 O2N8C39H73 A2B8C39D73 -158.71 3.0 0.0 0.0 0