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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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193037 78337573 1 FSN3O3C20H22 ABC3D3E20F22 -131.38 3.02 -9.71 -0.53 0
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193038 78337574 1 FSN3O3C21H32 ABC3D3E21F32 -185.96 5.46 -9.81 -0.25 0
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193039 78337575 1 FSN3O3C22H26 ABC3D3E22F26 -149.28 8.17 -9.45 -0.4 0
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193040 78337576 1 FSN3O4C20H22 ABC3D4E20F22 -161.64 5.25 -9.64 -0.52 0
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193041 78337577 1 SN3O4C20H23 AB3C4D20E23 -108.46 7.0 -9.2 -0.6 0
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193042 78337578 1 SN3O4C17H21 AB3C4D17E21 -103.27 6.12 -8.93 -1.43 0
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193043 78337579 1 SO2N5C11H21 AB2C5D11E21 -62.57 3.88 -8.87 -0.94 0
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193044 78337580 1 O5N6C23H24 A5B6C23D24 -49.69 2.47 -9.36 -1.5 0
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193045 78337581 1 IN3O5H12C17 AB3C5D12E17 -66.48 8.69 -9.36 -1.85 0
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193046 78337582 1 N4O4H8C15 A4B4C8D15 61.56 7.77 -9.95 -2.47 0
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193047 78337583 1 O3N5C24H27 A3B5C24D27 -61.45 4.78 -8.7 -0.28 1
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193048 78337584 1 BrO4N5C18H23 AB4C5D18E23 -102.71 1.82 0.0 0.0 0
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193049 78337585 1 O4N5C16H19 A4B5C16D19 -113.53 6.7 -8.68 -0.33 0
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193050 78337586 1 N2O4C19H20 A2B4C19D20 -14.02 5.88 -9.36 -1.35 0
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193051 78337587 1 SO2N3C22H29 AB2C3D22E29 -75.63 6.58 -8.53 -0.35 0
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193052 78337588 1 O3N7C26H39 A3B7C26D39 -61.61 3.89 -8.58 -0.24 1
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193053 78337589 1 SN2O3C12H23 AB2C3D12E23 -172.14 4.4 0.0 0.0 -2
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193054 78337590 1 PN5O7C10H12 AB5C7D10E12 -237.62 6.71 -9.88 -1.29 0
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193055 78337591 1 ClN5O5H18C23 AB5C5D18E23 -17.14 3.68 -9.49 -2.17 0
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193056 78337592 1 ON2F3C16H19 AB2C3D16E19 -192.91 3.2 -9.21 0.08 0
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193057 78337593 1 BrN3O4C21H22 AB3C4D21E22 -60.38 3.58 -8.47 -1.67 0
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193058 78337594 1 ClN4O7H11C16 AB4C7D11E16 -63.42 6.48 -9.58 -2.02 0
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193059 78337595 1 ClO3N6C18H23 AB3C6D18E23 -56.97 7.32 -9.15 -0.3 1
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193060 78337596 1 Cl2O5N6H27C30 A2B5C6D27E30 -48.39 10.18 0.0 0.0 0
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193061 78337597 1 Cl2O2N3H11C21 A2B2C3D11E21 90.56 5.93 -9.23 -2.01 0
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193062 78337598 1 N3O3C21H29 A3B3C21D29 -66.88 4.37 -9.15 0.1 0
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193063 78337599 1 O3N4C23H28 A3B4C23D28 -44.75 3.65 -8.51 -0.63 1
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193064 78337600 1 Cl2N5O5H16C17 A2B5C5D16E17 -147.38 4.16 0.0 0.0 0
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193065 78337601 1 SO5N6H26C27 AB5C6D26E27 -82.62 5.76 -9.48 -0.84 0
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193066 78337602 1 SN3O6H21C22 AB3C6D21E22 -93.1 2.36 -8.94 -1.65 0
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193067 78337603 1 ClN2O3H23C24 AB2C3D23E24 -69.21 1.27 -9.15 -1.19 0
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193068 78337604 1 Cl2O3N4H8C14 A2B3C4D8E14 58.45 9.15 -9.78 -2.03 0
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193069 78337830 1 S2N4O4C21H26 A2B4C4D21E26 -150.84 2.03 -8.78 -0.77 0
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193070 78337845 1 SO3N7H21C22 AB3C7D21E22 17.18 4.55 -8.73 -0.94 0
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193071 78338111 1 BrO4N5C31H32 AB4C5D31E32 -50.31 4.59 -8.91 -0.57 0
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193072 78338147 1 O2N5C26H33 A2B5C26D33 -34.67 3.75 -9.18 0.03 0
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193073 78338148 1 O3N5C28H33 A3B5C28D33 -65.2 2.01 -8.65 -0.18 0
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193074 78338149 1 SO4N5H19C20 AB4C5D19E20 -27.17 1.13 -9.36 -1.7 0
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193075 78338567 1 OS2N5H21C25 AB2C5D21E25 118.54 7.51 -8.82 -1.44 0
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193076 78338568 1 Cl2N3O5H13C20 A2B3C5D13E20 5.13 6.76 -9.34 -2.21 0
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193077 78338974 1 OSN4C17H26 ABC4D17E26 -6.03 5.68 -8.52 0.18 1
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193078 78339067 1 N3O6C22H32 A3B6C22D32 -277.34 2.73 0.0 0.0 0
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193079 78339068 1 FN4C22H29 AB4C22D29 11.45 4.46 -8.45 0.14 0
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193080 78339069 1 O2S2N3C23H25 A2B2C3D23E25 -31.75 4.43 -8.69 -0.51 0
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193081 78339070 1 N3O5C23H25 A3B5C23D25 -142.91 6.43 -8.91 -0.29 1
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193082 78339570 1 N3O7H18C20 A3B7C18D20 -180.51 6.26 0.0 0.0 0
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193083 78340043 1 ClN2O3H21C23 AB2C3D21E23 -56.22 4.03 -9.29 -1.29 0
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193084 78340044 2 ClN2O3H4C6 AB2C3D4E6 -64.31 6.93 -10.48 -1.98 0
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193085 78340045 2 NO2C10H12 AB2C10D12 -130.23 5.14 -8.76 -1.24 1
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193086 78340106 1 O4N5C20H26 A4B5C20D26 -113.1 6.32 0.0 0.0 0