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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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228007 87563217 2 NOC17H20 ABC17D20 -28.03 5.16 -8.87 -0.12 0
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228008 87563218 1 N5O9C26H29 A5B9C26D29 -178.82 8.21 -9.54 -2.31 0
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228009 87563219 1 NS2C11H11 AB2C11D11 71.38 4.03 -9.19 -1.48 0
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228010 87563220 1 NS2C11H11 AB2C11D11 72.13 2.87 -9.07 -1.53 0
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228011 87563221 1 NO2S2H17C18 AB2C2D17E18 13.02 4.94 -9.32 -1.35 0
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228012 87563226 1 SO2F3N3C15H16 AB2C3D3E15F16 -180.59 6.85 -8.9 -1.34 0
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228013 87563227 1 SO2F3N3C15H16 AB2C3D3E15F16 -179.9 9.74 -8.95 -1.41 0
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228014 87563229 1 P2O3H32C38 A2B3C32D38 1.42 4.64 -8.59 -0.22 0
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228015 87563230 1 O3N4H16C19 A3B4C16D19 -7.66 8.67 -8.79 -1.24 0
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228016 87563232 1 ClNSO5C12H12 ABCD5E12F12 -166.32 8.51 -10.15 -1.29 0
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228017 87563233 1 N2O3C17H24 A2B3C17D24 -113.07 4.37 -8.72 -0.05 0
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228018 87563234 1 ClO2H5N6C7 AB2C5D6E7 44.08 3.21 -10.46 -2.01 0
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228019 87563235 1 NSF3O5C16H18 ABC3D5E16F18 -301.15 7.15 -9.37 -0.72 0
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228020 87563236 1 FePO2S2C4H10 ABC2D2E4F10 -114.55 2.47 0.0 0.0 0
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228021 87563238 1 NO2C15H17 AB2C15D17 -6.84 3.62 -9.26 -0.49 0
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228022 87563239 1 FO2N7C21H24 AB2C7D21E24 -43.82 7.4 -8.92 -0.43 0
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228024 87563241 1 NOF3C15H18 ABC3D15E18 -196.1 5.76 -8.9 -0.34 -6
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228025 87563243 1 BrClFeN2H10C18 ABCD2E10F18 195.77 6.68 -8.83 -1.53 0
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228026 87563248 2 O3C8H16 A3B8C16 -328.5 5.15 -10.88 -0.24 0
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228027 87563249 2 O2C5H9 A2B5C9 -196.49 4.83 -10.97 -0.4 0
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228028 87563250 1 Cl2N2S2O3H14C15 A2B2C2D3E14F15 9.45 5.3 -9.42 -1.9 0
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228029 87563251 1 N2O5C31H46 A2B5C31D46 -114.54 2.32 -8.5 -0.43 0
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228030 87563252 1 ClNS2O3F4H4C12 ABC2D3E4F4G12 -174.98 8.32 -8.88 -1.34 0
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228031 87563253 1 ClF2O2N3C14H18 AB2C2D3E14F18 -189.06 6.9 -10.21 -0.95 0
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228032 87563254 1 IOCl2S2H7C12 ABC2D2E7F12 26.25 0.99 -8.9 -1.46 0