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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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413311 135086259 1 NOC15H21 ABC15D21 -37.79 3.65 -9.47 0.2 1
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413312 135086260 1 NC15H18 AB15C18 21.4 2.7 0.0 0.0 0
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413313 135086261 1 PO3F4H15C16 AB3C4D15E16 -332.6 6.77 -9.55 -0.6 0
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413314 135086262 1 PO3Cl4H15C16 AB3C4D15E16 -181.42 5.17 -9.31 -0.66 0
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413315 135086263 1 BPF4H16C18 ABC4D16E18 -232.08 2.57 -8.75 -0.53 0
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413316 135086264 1 PCl2F2O3H15C16 AB2C2D3E15F16 -257.93 5.1 -9.52 -0.72 0
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413317 135086265 1 O5C14H16 A5B14C16 -178.47 2.55 -9.21 -0.93 0
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413318 135086266 1 O3C17H18 A3B17C18 -97.85 2.83 -9.26 -1.04 0
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413319 135086267 3 OC5H6 AB5C6 -113.1 2.34 -9.23 0.19 0
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413320 135086268 1 O4C15H18 A4B15C18 -149.45 4.3 -8.88 0.09 0
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413321 135086269 1 ClO3C16H19 AB3C16D19 -137.16 5.03 -9.28 -0.01 0
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413322 135086270 1 O3C17H22 A3B17C22 -136.54 2.86 -9.09 0.49 0
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413323 135086271 1 O3C17H22 A3B17C22 -135.87 3.45 -8.98 0.53 0
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413324 135086272 1 NSCl2O3H11C14 ABC2D3E11F14 -77.81 2.31 -9.71 -0.92 0
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413325 135086273 1 SO5C18H18 AB5C18D18 -165.83 4.87 -9.63 -0.97 0
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413326 135086274 1 O2N3C13H15 A2B3C13D15 12.08 1.97 -9.59 -0.4 1
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413327 135086275 1 NC9H12 AB9C12 15.99 1.47 0.0 0.0 0
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413328 135086276 1 NO6C15H15 AB6C15D15 -211.96 4.33 -9.07 -1.1 0
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413329 135086277 1 N2O3C14H14 A2B3C14D14 -15.22 2.35 -9.6 -1.71 0
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413330 135086278 1 BrNO3H14C19 ABC3D14E19 -36.56 2.36 -8.98 -1.19 0
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413331 135086279 1 N2O5H14C19 A2B5C14D19 -38.68 0.74 -8.95 -1.52 0
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413332 135086280 1 BrN2H25C28 AB2C25D28 137.14 2.53 -8.34 -0.71 0
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413333 135086281 1 BrN2C26H29 AB2C26D29 91.37 3.56 -8.29 -0.25 0
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413334 135086282 1 ClN2O2H9C12 AB2C2D9E12 39.54 5.94 -10.07 -1.38 0
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413335 135086283 1 FON2C18H19 ABC2D18E19 -38.22 2.37 -8.88 -0.79 0