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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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218127 85088916 1 NSiO2C26H45 ABC2D26E45 -165.71 1.24 -8.73 1.01 0
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218128 85088917 1 FPN2O9C16H20 ABC2D9E16F20 -478.71 3.42 -9.82 -0.45 0
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218129 85088918 1 O10H20C21 A10B20C21 -360.71 6.63 -9.13 -1.53 0
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218130 85088919 1 N2O7H16C23 A2B7C16D23 -186.72 7.46 -9.07 -1.5 0
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218131 85088920 1 PN2O6C21H25 AB2C6D21E25 -278.87 2.83 -9.31 -0.32 0
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218132 85088921 1 O7C24H32 A7B24C32 -268.29 2.86 -8.8 0.21 0
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218133 85088923 1 O5C27H28 A5B27C28 -132.96 2.6 -9.5 0.03 0
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218134 85088924 1 N4O5C22H32 A4B5C22D32 -191.36 4.08 -8.67 -0.2 0
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218135 85088928 1 Cl3N7C17H24 A3B7C17D24 13.52 4.9 -8.9 -0.88 0
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218136 85088929 1 Cl2N7C17H23 A2B7C17D23 53.72 9.33 -8.76 -0.5 1
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218137 85088937 1 NO3C15H20 AB3C15D20 -122.56 3.95 0.0 0.0 0
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218138 85088938 1 SN3O5C21H27 AB3C5D21E27 -182.03 5.15 -9.14 -0.7 0
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218139 85088939 1 N3O5C23H35 A3B5C23D35 -222.49 2.83 -8.89 0.08 0
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218140 85088941 1 ON7C24H35 AB7C24D35 7.83 3.5 -8.69 -0.24 0
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218141 85088942 1 NSO2C26H43 ABC2D26E43 -106.09 3.85 -8.08 0.28 0
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218142 85088945 1 ClN3O3H20C24 AB3C3D20E24 -19.24 3.92 -8.36 -1.33 0
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218143 85088946 1 O2H11C12F13 A2B11C12D13 -743.29 1.08 -10.38 -0.53 0
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218144 85088947 1 IO6C16H19 AB6C16D19 -217.81 1.2 -9.93 -1.24 0
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218145 85088949 1 FN4O6C20H23 AB4C6D20E23 -211.6 6.93 -9.12 -1.4 0
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218146 85088950 1 IO2C21H25 AB2C21D25 -43.86 3.35 -8.57 -0.63 0
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218147 85088951 1 O9C22H26 A9B22C26 -356.48 1.2 -9.01 -1.16 0
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218148 85088952 1 O7H22C25 A7B22C25 -211.84 2.67 -9.68 -0.91 0
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218149 85088953 1 F2O5C24H28 A2B5C24D28 -292.96 8.32 -9.8 -0.41 0
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218150 85088954 2 O3C13H13 A3B13C13 -179.82 2.09 -9.57 -0.28 0
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218151 85088955 2 N2O2C12H17 A2B2C12D17 -162.54 10.19 -8.61 -0.54 0
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218152 85088956 1 O2N4H20C27 A2B4C20D27 106.22 6.93 -9.27 -2.08 0
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218153 85088957 1 SO4N6C19H32 AB4C6D19E32 -124.95 8.74 -8.72 -0.86 0
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218154 85088958 1 O7C24H34 A7B24C34 -328.75 6.12 -9.73 -0.95 0
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218155 85088960 1 N2O6C23H34 A2B6C23D34 -269.53 4.91 -9.17 -0.89 0
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218156 85088962 1 OSN2H22C28 ABC2D22E28 116.99 2.67 -8.61 -0.59 0
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218157 85088964 2 ON2C13H17 AB2C13D17 -39.64 9.19 -7.94 -0.41 0
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218158 85088970 1 NPO7C21H26 ABC7D21E26 -292.04 5.72 -9.08 -0.34 0
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218159 85088971 1 N3O7C21H29 A3B7C21D29 -192.45 3.8 -9.28 -1.46 0
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218160 85088972 1 BrO3C22H43 AB3C22D43 -222.12 1.34 -10.05 -0.31 0
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218161 85088973 1 O2N5H21C26 A2B5C21D26 95.65 2.34 -7.79 -0.62 0
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218162 85088974 1 ON7H21C25 AB7C21D25 116.78 4.52 -8.63 -1.02 0
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218163 85088975 1 NO5C26H29 AB5C26D29 -102.12 2.38 -8.78 -0.43 0
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218164 85088976 1 FSO2N3H22C24 ABC2D3E22F24 -49.08 9.1 -8.63 -0.76 0
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218165 85088978 1 O2N3H25C28 A2B3C25D28 35.35 8.9 -9.35 -0.35 0
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218166 85088979 1 NSO6C22H29 ABC6D22E29 -254.1 2.68 -8.57 -0.79 0
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218167 85088984 1 FN2O6H17C23 AB2C6D17E23 -143.28 2.36 -9.09 -1.96 0
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218168 85088985 1 SN2F3O3H19C21 AB2C3D3E19F21 -212.63 4.11 -9.0 -1.14 0
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218169 85088986 1 N4O5C23H24 A4B5C23D24 -109.26 5.06 -8.71 -0.56 0
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218170 85088987 1 O3N4C26H28 A3B4C26D28 -47.13 2.57 -8.64 -1.06 0
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218171 85088988 2 O3C13H14 A3B13C14 -178.08 3.72 -8.85 -0.84 0
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218172 85088989 1 PO5C24H37 AB5C24D37 -300.05 1.98 -8.57 -0.28 0
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218173 85088991 1 FSO5C23H29 ABC5D23E29 -263.4 8.19 -9.72 -0.86 0
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218174 85088992 1 FSO5C23H29 ABC5D23E29 -268.83 12.07 -9.5 -0.76 0
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218175 85088993 1 N2S2O5C20H24 A2B2C5D20E24 -143.93 4.42 -8.85 -0.98 0
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218176 85088994 1 PO5C23H49 AB5C23D49 -357.17 1.24 -9.61 1.08 0