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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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168612 74994481 1 N3O4C6H12 A3B4C6D12 -139.4 10.53 0.0 0.0 -1
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168613 74994857 1 Cl3O4N5C36H37 A3B4C5D36E37 -47.43 1.32 0.0 0.0 0
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168614 74995037 1 Cl2N3O3C25H33 A2B3C3D25E33 -146.6 3.8 -8.53 -1.03 -1
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168615 74995358 1 PN4O9C35H44 AB4C9D35E44 -363.76 12.18 0.0 0.0 0
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168616 74995359 1 PN4O9C27H51 AB4C9D27E51 -561.52 2.54 -9.78 -0.14 0
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168617 74995599 1 NaSN2O5C13H15 ABC2D5E13F15 -179.76 15.96 -7.68 -0.21 0
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168619 74996025 1 Cl2O3N5C24H24 A2B3C5D24E24 -26.74 2.87 0.0 0.0 0
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168620 74996176 1 Cl2N3O4C28H35 A2B3C4D28E35 -158.9 6.14 -8.74 -0.67 0
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168621 74996444 1 N3F4O4C20H21 A3B4C4D20E21 -308.31 13.02 -8.92 -1.11 0
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168622 74996445 2 SO2N3H6C9 AB2C3D6E9 122.91 4.33 -8.74 -1.72 0
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168623 74996446 1 ClNO3C9H16 ABC3D9E16 -180.03 2.02 -10.64 -0.24 0
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168624 74996778 1 NO5C23H27 AB5C23D27 -61.02 3.05 -8.24 -1.14 0
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168625 74997153 1 ClN3O3H10C13 AB3C3D10E13 -30.95 5.55 -10.22 -2.44 0
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168626 74997154 1 N3O5C27H33 A3B5C27D33 -97.14 6.28 -8.23 -0.39 0
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168627 74997162 1 NO5C22H25 AB5C22D25 -164.18 5.89 -8.87 -0.28 0
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168628 74997480 1 NSO3C24H25 ABC3D24E25 -45.56 6.89 -8.53 -0.16 0
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168629 74997613 1 N2O4C25H30 A2B4C25D30 -139.26 2.62 -9.5 -1.49 0
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168630 74997658 1 FNaCl2O5C19H22 ABC2D5E19F22 -274.31 17.02 -8.15 -1.29 0
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168631 74997659 1 FCl2O5C19H23 AB2C5D19E23 -281.3 2.37 -9.33 -0.78 0
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168632 74997660 1 NNaO6C27H42 ABC6D27E42 -354.01 6.7 -9.04 -0.01 0
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168633 74997705 1 N3O6C17H21 A3B6C17D21 -238.11 8.1 -9.47 -0.79 0
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168634 74997706 1 NaO5C21H31 AB5C21D31 -253.94 15.0 -8.51 -0.24 0
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168635 74997707 1 O5C21H32 A5B21C32 -255.42 4.49 -9.01 0.29 0
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168636 74997919 1 FSN2O2C15H19 ABC2D2E15F19 -113.21 0.9 -8.78 -1.16 0
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168637 74997920 1 FSN2O2C12H13 ABC2D2E12F13 -94.61 0.74 -8.83 -1.21 0