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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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179134 76440687 1 ON6C17H30 AB6C17D30 -37.18 5.42 -8.78 0.67 1
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179135 76440743 1 O2N6C17H17 A2B6C17D17 65.19 9.37 0.0 0.0 1
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179136 76440744 1 ClON6H12C15 ABC6D12E15 102.97 10.85 0.0 0.0 1
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179137 76440745 1 ON6H15C16 AB6C15D16 98.63 9.95 0.0 0.0 0
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179138 76440746 1 ClN2O4H17C18 AB2C4D17E18 -111.31 1.79 -9.08 -1.3 0
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179139 76440916 2 NOC9H12 ABC9D12 -104.5 4.54 -8.43 0.3 1
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179140 76440917 1 SO2N6H13C15 AB2C6D13E15 86.41 9.32 0.0 0.0 1
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179141 76440918 1 OSN6H13C15 ABC6D13E15 116.46 8.56 0.0 0.0 0
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179142 76440919 1 N2F3O3C18H21 A2B3C3D18E21 -299.79 8.98 -9.06 -0.48 1
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179143 76440928 1 ON6H15C16 AB6C15D16 95.09 10.21 0.0 0.0 0
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179144 76441067 2 NSO4H18C19 ABC4D18E19 -240.47 3.32 -8.86 -1.73 0
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179145 76441137 1 F2O17N26C64H96 A2B17C26D64E96 -674.24 11.15 -9.14 -0.37 0
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179146 76441157 2 NO2C13H15 AB2C13D15 -177.28 3.09 -8.85 -0.54 0
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179147 76441302 1 O6C25H42 A6B25C42 -304.44 2.47 -9.53 0.17 0
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179148 76441883 1 NSiO7C53H75 ABC7D53E75 -347.33 2.74 -8.53 0.43 0
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179149 76442237 1 ClO5C23H33 AB5C23D33 -271.9 6.42 -10.54 -0.84 0
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179150 76442238 2 O4C8H9 A4B8C9 -315.21 8.01 -9.6 -1.28 0
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179151 76442295 1 O2N3H11C14 A2B3C11D14 54.0 7.95 -9.06 -2.07 0
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179152 76442786 1 SN2O6C18H22 AB2C6D18E22 -152.51 5.36 -9.29 -1.59 0
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179153 76442978 1 Cl2O3N5H29C30 A2B3C5D29E30 -52.43 4.01 -9.33 -0.67 0
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179154 76442990 1 SN4O5C46H52 AB4C5D46E52 -51.73 5.46 -8.9 -0.57 0
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179155 76443109 1 O5C24H40 A5B24C40 -261.22 5.32 -9.91 0.31 0
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179156 76443110 1 ClSN4O6H17C18 ABC4D6E17F18 -152.03 7.54 -8.95 -1.44 0
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179157 76443428 2 FO2C11H13 AB2C11D13 -242.61 6.53 -9.57 -0.79 0
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179158 76443429 1 N2O4C29H32 A2B4C29D32 -118.71 5.68 -9.43 -0.03 0
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179159 76443430 1 OSN3C20H27 ABC3D20E27 4.01 4.36 -8.27 -0.95 0
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179160 76443431 1 NO5C31H49 AB5C31D49 -244.0 2.17 -8.88 0.58 1
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179161 76443598 1 NS2O5C10H18 AB2C5D10E18 -215.79 4.42 0.0 0.0 0
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179162 76443599 1 PS2N3O3C8H8 AB2C3D3E8F8 -89.38 5.72 -9.99 -2.34 0
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179163 76444055 1 S4O6N9C18H19 A4B6C9D18E19 -48.83 7.55 -9.25 -1.39 0
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179164 76444056 1 O5C27H46 A5B27C46 -287.04 3.68 -9.88 0.19 0
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179165 76444703 1 O7C32H54 A7B32C54 -367.98 3.41 -9.68 0.85 1
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179166 76444704 1 NSCl2O3C10H16 ABC2D3E10F16 -153.96 6.16 0.0 0.0 0
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179167 76444836 2 ON2C3H7 AB2C3D7 10.58 6.19 -8.88 -0.5 0
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179168 76444865 1 NF2O3C8H9 AB2C3D8E9 -239.58 3.44 -11.35 -0.42 0
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179169 76444921 1 OSCl3N3H6C10 ABC3D3E6F10 15.52 5.63 -9.43 -1.59 0
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179170 76444932 1 O5C20H32 A5B20C32 -236.08 7.37 -10.68 -0.3 0
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179171 76445471 1 ISO3N5H22C26 ABC3D5E22F26 95.81 7.39 -8.8 -1.84 0
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179172 76445472 1 N2Cl3C11H13 A2B3C11D13 -13.35 4.52 -9.66 -1.23 0
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179173 76445479 1 N8O9C57H102 A8B9C57D102 -536.93 2.98 -8.38 0.06 0
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179174 76445480 1 N6O9C49H84 A6B9C49D84 -521.74 8.3 -8.49 0.04 0
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179175 76446311 1 SO4N5C25H25 AB4C5D25E25 -35.35 8.24 -9.12 -1.79 0
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179176 76446331 1 OCl2N4F5H21C22 AB2C4D5E21F22 -256.43 5.91 -8.47 -0.92 0
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179177 76446386 1 O9N10C53H62 A9B10C53D62 -276.89 7.17 -8.34 -1.06 0
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179178 76446400 1 SN3O6H27C30 AB3C6D27E30 -78.09 4.13 -8.74 -1.93 0
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179179 76446401 1 SN4O5H24C25 AB4C5D24E25 -84.91 11.12 -9.02 -1.74 0
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179180 76446705 1 O3N4C25H34 A3B4C25D34 -81.18 5.25 -9.18 -0.25 0
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179181 76447509 1 FO2Cl3H6C10 AB2C3D6E10 -109.47 4.79 -10.35 -1.13 0
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179182 76447510 2 OCl2H3C5 AB2C3D5 -71.13 4.74 -10.12 -1.19 0
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179183 76447684 1 S2F6O6H10C17 A2B6C6D10E17 -447.67 0.45 -9.24 -1.87 0