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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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138188 52326616 1 ClNSO4C20H22 ABCD4E20F22 -150.81 1.96 -9.39 -0.95 1
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138189 52326617 1 ON2C22H25 AB2C22D25 33.18 5.38 0.0 0.0 0
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138190 52326618 1 ON2C22H24 AB2C22D24 18.62 3.46 -8.84 -0.61 0
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138191 52326619 1 BrNO2C16H22 ABC2D16E22 -86.29 2.31 -9.35 -0.14 1
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138192 52326620 1 ON2C22H25 AB2C22D25 24.33 4.24 0.0 0.0 0
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138193 52326978 1 N4O5C17H20 A4B5C17D20 -68.21 3.76 -9.8 -1.39 0
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138194 52327196 4 NOC5H7 ABC5D7 -132.29 2.06 -9.31 -0.45 0
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138195 52327197 1 N2O3C19H24 A2B3C19D24 -82.93 5.2 -8.06 -0.23 0
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138196 52327198 1 S2F3N3O3H14C15 A2B3C3D3E14F15 -221.33 4.43 -9.43 -1.44 0
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138197 52327199 1 SN2O3C18H24 AB2C3D18E24 -123.84 4.87 -9.14 -0.51 0
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138198 52327200 1 SN3O3H15C16 AB3C3D15E16 -49.37 5.53 -9.08 -0.97 0
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138199 52327201 1 O2N6H22C23 A2B6C22D23 23.91 4.54 -8.63 -1.23 0
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138200 52327230 1 NO3C20H27 AB3C20D27 -125.85 5.19 -9.11 -0.54 1
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138201 52327319 1 OSN5H18C19 ABC5D18E19 79.78 9.08 0.0 0.0 0
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138202 52327391 1 N2O3C10H16 A2B3C10D16 -133.76 6.54 -9.92 0.36 0
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138203 52327668 1 BrN2O3H15C17 AB2C3D15E17 -28.55 6.67 -9.22 -0.82 0
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138204 52327669 1 BrO3N4H13C17 AB3C4D13E17 11.93 4.17 -9.28 -1.42 0
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138205 52327670 1 ON5H15C19 AB5C15D19 97.36 3.71 -9.18 -1.45 0
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138206 52327825 1 ON3C21H21 AB3C21D21 35.89 5.54 -9.57 -1.05 -2
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138207 52327826 1 ClSO2N4H5C8 ABC2D4E5F8 46.72 10.68 -8.93 -2.59 0
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138208 52327966 1 N3O5C21H21 A3B5C21D21 -96.45 6.28 -9.01 -1.4 0
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138209 52328328 1 SN3O4C20H21 AB3C4D20E21 -69.29 10.07 -9.37 -1.52 0
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138210 52328485 1 N2O3C13H22 A2B3C13D22 -108.95 4.1 -9.18 0.24 0
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138211 52328555 1 FSO2N3H20C22 ABC2D3E20F22 -41.92 2.96 -8.79 -1.19 0
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138212 52328618 1 FOCl2N4H15C24 ABC2D4E15F24 62.32 5.65 -9.32 -1.5 0