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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