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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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148249 53787911 2 PO4C5H8 AB4C5D8 -441.47 3.12 -9.39 -0.21 0
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148250 53787912 1 N2O2C29H42 A2B2C29D42 -87.65 3.16 -8.43 -0.73 0
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148251 53787913 1 NOC21H21 ABC21D21 48.19 2.18 -8.77 -0.57 0
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148252 53787914 1 FOSN2C15H15 ABCD2E15F15 -22.02 6.25 -9.14 -0.63 -1
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148253 53787915 1 N2O2C7H15 A2B2C7D15 -80.95 2.51 0.0 0.0 0
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148254 53787916 1 N2O2C7H16 A2B2C7D16 -98.42 4.8 -9.26 0.81 0
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148255 53787917 1 NSO3C5H7 ABC3D5E7 -92.07 4.24 -8.88 -0.08 0
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148256 53787918 1 O5C17H22 A5B17C22 -200.13 5.58 -9.67 -0.72 0
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148257 53787919 1 N2O3C8H14 A2B3C8D14 -30.4 0.8 -9.42 -0.99 0
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148258 53787920 1 PSN2O4C19H23 ABC2D4E19F23 -172.6 6.2 -8.89 -0.6 0
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148259 53787921 1 Cl2O3N4C13H18 A2B3C4D13E18 -101.59 3.56 -8.88 -0.76 0
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148260 53787922 1 FSN3O6C18H20 ABC3D6E18F20 -254.56 8.54 -9.56 -0.54 0
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148261 53787923 1 NPO4C10H22 ABC4D10E22 -272.32 3.87 -9.69 0.75 0
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148262 53787924 1 ClN2O3C21H23 AB2C3D21E23 -69.88 3.55 -8.58 -1.3 0
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148263 53787925 1 OC27H42 AB27C42 -81.79 3.36 -8.34 0.2 0
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148264 53787926 1 PN2F3O3C22H22 AB2C3D3E22F22 -266.75 7.37 -9.23 -1.54 0
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148265 53787927 1 ClO2H9C11 AB2C9D11 -30.65 3.05 -9.52 -0.75 0
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148266 53787928 1 P2O7Cl9C17H29 A2B7C9D17E29 -532.41 2.77 -10.36 -0.28 0
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148267 53787929 1 OSN2C5H8 ABC2D5E8 -26.06 4.66 -9.06 0.13 0
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148268 53787930 1 NH13C14 AB13C14 43.9 1.95 -7.8 -0.3 0
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148269 53787931 1 OSN3C4H5 ABC3D4E5 -5.78 6.53 -9.35 -0.68 0
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148270 53787932 1 ClNSO2C13H22 ABCD2E13F22 -109.6 3.96 -9.78 -0.75 0
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148271 53787933 1 N2S2O4C19H28 A2B2C4D19E28 -150.59 6.58 -9.17 -1.43 0
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148272 53787934 1 O2N3C34H57 A2B3C34D57 -123.75 3.59 -8.34 -0.01 0
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148273 53787935 1 N2O4C41H50 A2B4C41D50 -85.63 3.9 -8.66 -0.05 0