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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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166092 74636900 1 ClSN2O5C19H19 ABC2D5E19F19 -148.28 4.08 -9.18 -0.83 0
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166093 74636992 1 OS3N5C20H21 AB3C5D20E21 109.84 3.22 -8.62 -0.99 0
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166094 74637018 1 O2N5C21H31 A2B5C21D31 -23.05 4.6 -8.86 -0.66 1
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166095 74637059 1 Cl2O3N4C16H21 A2B3C4D16E21 -111.7 6.85 0.0 0.0 0
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166096 74637186 1 ClN2O2C18H25 AB2C2D18E25 -105.3 2.06 -9.2 -0.68 -1
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166097 74637195 1 N4O4C24H25 A4B4C24D25 -36.32 4.18 0.0 0.0 0
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166098 74637196 1 SN3O4C24H29 AB3C4D24E29 -128.6 8.2 -8.8 -0.89 -1
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166099 74637197 1 N2S2O6H11C18 A2B2C6D11E18 -16.63 6.37 0.0 0.0 0
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166100 74637325 1 NO5C24H31 AB5C24D31 -153.04 3.92 -8.2 -0.27 0
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166101 74637488 1 FSN3O6H20C22 ABC3D6E20F22 -159.16 4.55 -9.42 -1.14 0
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166102 74637784 1 FNO2C19H20 ABC2D19E20 -87.27 2.62 -8.9 -0.79 0
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166103 74637785 1 FINO2H13C16 ABCD2E13F16 -46.29 3.38 -8.93 -1.01 0
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166104 74637786 1 NO2F4H11C16 AB2C4D11E16 -194.01 6.08 -9.14 -1.1 1
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166105 74637865 1 O3N5C24H28 A3B5C24D28 -43.25 2.82 0.0 0.0 0
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166106 74637926 1 SN4O7C18H18 AB4C7D18E18 -123.19 6.68 -8.87 -1.31 0
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166107 74638446 1 N2O3Cl4H16C23 A2B3C4D16E23 -68.73 5.09 -9.02 -1.32 1
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166108 74638927 1 O2N6C21H25 A2B6C21D25 53.71 1.27 0.0 0.0 0
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166109 74639200 1 ClOSN5H18C22 ABCD5E18F22 128.22 5.26 -8.74 -1.02 0
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166110 74639339 1 FON5H18C23 ABC5D18E23 98.0 4.88 -8.72 -0.92 0
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166111 74639440 1 ClFON5H17C23 ABCD5E17F23 89.28 4.82 -8.76 -1.05 0
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166112 74639638 1 ClON6H23C25 ABC6D23E25 127.75 7.68 -8.75 -1.08 0
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166113 74639639 1 BrClFON6H15C22 ABCDE6F15G22 100.87 4.56 -8.98 -1.31 0
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166114 74639735 1 N6O6C19H22 A6B6C19D22 -168.06 6.43 -8.73 -0.42 1
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166115 74640000 1 N2O2C24H35 A2B2C24D35 -47.74 3.14 0.0 0.0 0
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166116 74640458 1 FN3O4H22C23 AB3C4D22E23 -119.56 2.29 -8.7 -1.06 0
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166117 74640471 1 ClSN2O5C20H21 ABC2D5E20F21 -159.07 5.63 -9.09 -1.39 0
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166118 74640530 1 N3O5C24H25 A3B5C24D25 -110.22 2.45 -8.71 -0.78 0
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166119 74640531 1 ClSN2O6C20H21 ABC2D6E20F21 -181.11 5.79 -9.24 -1.17 0
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166120 74640532 1 INO4H16C18 ABC4D16E18 -87.39 7.57 -8.98 -1.14 0
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166121 74640533 1 SN2O6C21H24 AB2C6D21E24 -187.6 5.51 -9.09 -1.03 0
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166122 74640615 1 NSO5C19H29 ABC5D19E29 -223.56 7.47 -9.21 -0.75 0
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166123 74640616 1 FON5C21H22 ABC5D21E22 17.2 3.76 -9.22 -0.23 0
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166124 74640909 1 FNO4C22H26 ABC4D22E26 -151.87 6.19 -8.31 -0.27 -1
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166125 74641006 1 BrNO4H13C17 ABC4D13E17 -60.83 8.82 0.0 0.0 0
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166126 74641055 1 BrN2O4H21C24 AB2C4D21E24 -61.77 1.48 -8.29 -1.03 0
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166127 74641063 1 BrN2O3H21C24 AB2C3D21E24 -39.13 1.6 -8.76 -0.99 0
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166128 74641064 1 BrN2O4H23C25 AB2C4D23E25 -74.65 3.21 -8.43 -0.8 0
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166129 74641065 1 BrN2O4H23C25 AB2C4D23E25 -81.9 5.94 -8.61 -0.68 0
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166130 74641502 1 N3O4H21C27 A3B4C21D27 11.93 3.3 -8.84 -1.36 0
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166131 74641906 1 N2O5H22C25 A2B5C22D25 -103.6 6.27 -8.65 -0.73 -1
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166132 74642022 1 ClNSO3H9C14 ABCD3E9F14 -23.05 8.83 0.0 0.0 0
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166133 74642023 1 ClNSO3H10C14 ABCD3E10F14 -63.36 8.76 -9.52 -1.28 0
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166134 74642193 1 ClN2O4H23C25 AB2C4D23E25 -85.65 4.64 -8.38 -0.97 0
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166135 74642290 1 NO5C27H29 AB5C27D29 -134.12 3.68 -8.45 -0.26 0
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166136 74642426 1 INO3H22C24 ABC3D22E24 -35.86 4.65 -8.71 -1.09 0
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166137 74642429 1 NO3C25H25 AB3C25D25 -63.2 5.61 -8.79 -0.2 0
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166138 74642430 1 NO3C25H25 AB3C25D25 -63.68 5.37 -8.79 -0.16 1
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166139 74642563 1 SN2O2C21H29 AB2C2D21E29 -33.59 5.41 0.0 0.0 0
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166140 74642692 1 O2N3C25H31 A2B3C25D31 -32.61 2.74 -8.15 -0.42 0
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166141 74642693 1 NSO3C18H21 ABC3D18E21 -61.92 5.52 -9.31 -0.72 1
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166142 74642694 1 O3N4C23H27 A3B4C23D27 -80.03 4.46 0.0 0.0 0
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166143 74642695 1 O3N6C27H40 A3B6C27D40 -110.09 6.4 -8.02 -0.26 0
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166144 74642696 1 SO2N3C25H27 AB2C3D25E27 3.57 5.91 -7.97 -0.58 0
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166145 74642697 1 ClN2O4C21H23 AB2C4D21E23 -143.11 4.49 -9.81 -0.76 0
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166146 74642698 1 F2N2O2C21H22 A2B2C2D21E22 -132.69 4.68 -8.12 -0.87 0
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166147 74642699 1 SN3O3C23H27 AB3C3D23E27 -68.26 6.14 -8.04 -0.28 0
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166148 74642700 1 FNO4H18C19 ABC4D18E19 -149.8 2.97 -9.06 -0.78 0
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166149 74642701 2 NO2C10H10 AB2C10D10 -117.68 4.42 -8.93 -0.69 0
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166150 74642702 1 FSN3O3C24H26 ABC3D3E24F26 -95.9 4.47 -8.09 -0.96 0
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166151 74642703 1 N3O5C23H33 A3B5C23D33 -226.45 4.36 -8.07 -0.01 0
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166152 74642704 1 SN2O4C20H24 AB2C4D20E24 -108.21 6.05 -8.95 -0.58 0
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166153 74642705 1 N2O5C25H32 A2B5C25D32 -171.12 5.94 -7.78 -0.77 0
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166154 74642706 1 SO4N5C25H25 AB4C5D25E25 -45.89 12.33 -8.64 -1.5 0
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166155 74642707 1 SN2O5C23H30 AB2C5D23E30 -157.83 7.02 -8.08 -0.92 0
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166156 74642726 1 N2O2C21H24 A2B2C21D24 -27.4 3.94 -8.08 -0.48 0
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166157 74642727 1 N2O3C22H26 A2B3C22D26 -69.94 6.08 -7.97 -0.32 0
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166158 74642728 1 SN3O3F5H14C17 AB3C3D5E14F17 -251.99 7.34 -9.88 -1.66 0
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166159 74642891 1 ClSO2N5C24H24 ABC2D5E24F24 33.58 6.47 -8.3 -1.14 0
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166160 74643395 1 S2N5C15H21 A2B5C15D21 38.51 6.03 -8.62 -0.58 1
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166161 74643396 1 S2N5C16H16 A2B5C16D16 88.87 2.12 0.0 0.0 1
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166162 74644131 1 SO2N3H16C18 AB2C3D16E18 44.78 1.98 0.0 0.0 1
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166163 74644132 1 ClSO2N3H17C20 ABC2D3E17F20 51.87 1.27 0.0 0.0 1
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166164 74644179 1 ClSO2N4C21H22 ABC2D4E21F22 5.72 3.83 0.0 0.0 1
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166165 74644180 1 SO2Cl3N4H16C20 AB2C3D4E16F20 22.17 5.71 0.0 0.0 1
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166166 74644181 1 ClSO2N4C22H24 ABC2D4E22F24 -0.31 3.47 0.0 0.0 1
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166167 74644229 1 NO2C21H28 AB2C21D28 -9.94 2.7 0.0 0.0 0
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166168 74644230 1 NO2C21H27 AB2C21D27 -30.83 2.04 -8.1 0.03 0
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166169 74644733 2 N2O2C7H8 A2B2C7D8 -95.39 7.08 -9.42 -1.33 0
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166170 74644734 1 N4O5H22C25 A4B5C22D25 -75.6 7.18 -8.56 -1.44 0
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166171 74644833 2 ON2C6H11 AB2C6D11 -95.93 2.46 -9.44 0.65 0
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166172 74644834 1 O2N4C9H18 A2B4C9D18 -88.61 2.68 -9.74 0.63 0
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166173 74645189 1 BrNSO3C14H20 ABCD3E14F20 -103.86 6.2 -9.24 -0.85 0
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166174 74645190 1 NSO3C15H23 ABC3D15E23 -121.56 5.56 -9.02 -0.55 1
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166175 74645386 1 ClNO4C21H25 ABC4D21E25 -106.27 1.86 0.0 0.0 0
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166176 74645550 1 N2O7C22H22 A2B7C22D22 -154.19 5.88 -8.37 -0.91 -1
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166177 74645559 1 ClSN4O4H14C22 ABC4D4E14F22 -4.2 4.29 0.0 0.0 0
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166178 74645841 1 O3N4C15H18 A3B4C15D18 -74.67 5.95 -9.41 -0.07 0
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166179 74646310 1 SN4O5C20H26 AB4C5D20E26 -168.47 6.65 -8.66 -0.42 1
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166180 74646642 1 FON5C20H23 ABC5D20E23 27.32 5.77 0.0 0.0 1
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166181 74646643 1 N2O4C22H29 A2B4C22D29 -100.01 3.65 0.0 0.0 0
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166182 74646874 1 O3N4C18H22 A3B4C18D22 -25.2 3.83 -8.75 -1.44 1
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166183 74646875 1 N3O4C26H34 A3B4C26D34 -100.16 1.95 0.0 0.0 0
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166184 74647085 1 FO2N4H15C17 AB2C4D15E17 -25.74 5.85 -8.79 -1.92 0
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166185 74647622 1 O3N5C23H27 A3B5C23D27 -6.71 12.35 -8.65 -2.31 0
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166186 74648351 1 NO5C19H21 AB5C19D21 -149.07 4.37 -8.5 -0.61 0
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166187 74648440 1 SO2N4H18C24 AB2C4D18E24 71.93 7.87 -9.13 -1.94 0
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166188 74648747 1 OSN3C18H21 ABC3D18E21 26.52 4.34 -8.87 -0.43 0
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166189 74649057 1 O3N4C20H26 A3B4C20D26 -86.55 7.7 -8.86 0.09 0
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166190 74649058 1 SN4O5C21H30 AB4C5D21E30 -141.76 3.68 -8.69 -0.78 0
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166191 74649131 1 ClF2N4O4C17H19 AB2C4D4E17F19 -265.14 6.04 -9.26 -0.78 0