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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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59901 24902318 1 BrNOC11H14 ABCD11E14 -6.52 1.74 -8.89 -0.11 0
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59902 24902323 1 FNOC13H18 ABCD13E18 -83.77 1.99 -8.79 -0.05 0
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59903 24902326 1 NOC10H13 ABC10D13 -7.42 1.58 -8.91 0.29 0
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59904 24902327 1 NOC12H17 ABC12D17 -30.85 3.27 -8.8 0.37 0
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59905 24902328 1 NOC11H15 ABC11D15 -10.78 3.16 -8.83 0.34 0
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59906 24902347 1 NO3C15H21 AB3C15D21 -120.59 2.01 -9.12 -0.63 0
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59907 24902354 1 ClNOC10H12 ABCD10E12 -9.91 2.18 -8.97 -0.21 0
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59908 24902359 1 BrNOC12H16 ABCD12E16 -27.26 3.04 -8.96 -0.12 0
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59909 24902365 1 ON2C13H16 AB2C13D16 1.33 4.61 -9.3 -0.52 0
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59910 24902380 1 FNOC12H16 ABCD12E16 -77.93 3.1 -8.91 -0.04 0
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59911 24902382 1 FNOC10H12 ABCD10E12 -48.87 2.8 -8.9 -0.11 0
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59912 24902384 1 FNOC13H18 ABCD13E18 -81.14 2.52 -8.77 0.0 0
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59913 24902385 1 FNOC12H16 ABCD12E16 -72.48 2.38 -8.76 -0.03 0
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59914 24902386 1 FNOC11H14 ABCD11E14 -52.76 2.59 -8.79 -0.03 0
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59915 24902393 1 ClFNOC10H11 ABCDE10F11 -69.41 2.75 -9.18 -0.48 0
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59916 24902436 1 NO3F4C17H21 AB3C4D17E21 -344.23 3.74 -9.55 -0.88 0
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59917 24902442 1 NF2O3C16H21 AB2C3D16E21 -228.19 2.7 -9.44 -0.34 0
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59918 24902443 1 NF2O3C16H21 AB2C3D16E21 -228.01 2.11 -9.45 -0.43 0
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59919 24902444 1 NF2O3C16H21 AB2C3D16E21 -227.02 4.25 -9.51 -0.52 0
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59920 24902467 1 NF3O3C17H22 AB3C3D17E22 -304.96 7.34 -9.44 -0.35 0
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59921 24902478 1 N2O3C15H22 A2B3C15D22 -131.43 2.9 -9.36 -0.16 0
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59922 24902481 1 N2F3O3C16H21 A2B3C3D16E21 -291.42 4.48 -9.6 -0.89 0
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59923 24902485 1 N3O3C14H21 A3B3C14D21 -118.97 3.32 -9.53 -0.51 0
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59924 24902488 1 N3O3C16H25 A3B3C16D25 -134.73 4.46 -9.37 -0.27 0
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59925 24902491 1 ClNF3O3C18H23 ABC3D3E18F23 -311.1 2.15 -9.43 -0.96 0
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59926 24902492 1 NO3F4C18H23 AB3C4D18E23 -343.6 4.37 -9.51 -0.92 0
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59927 24902496 1 NF3O4C18H24 AB3C4D18E24 -346.87 3.24 -9.37 -0.22 0
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59928 24902497 1 NF3O3C18H24 AB3C3D18E24 -305.77 3.96 -9.42 -0.62 0
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59929 24902498 1 NF3O4C18H24 AB3C4D18E24 -344.51 2.37 -9.32 -0.44 0
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59930 24902510 1 N2O3C16H24 A2B3C16D24 -136.93 2.95 -9.34 -0.14 0
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59931 24902514 1 N2F3O3C17H23 A2B3C3D17E23 -297.81 4.54 -9.56 -0.96 0
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59932 24902516 1 N2O3C17H26 A2B3C17D26 -145.52 3.58 -9.03 -0.11 0
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59933 24902542 1 ClFNO3C17H23 ABCD3E17F23 -199.77 4.2 -9.16 -0.41 0
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59934 24902547 1 N2F3O3C17H23 A2B3C3D17E23 -297.15 3.06 -9.62 -0.92 0
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59935 24902550 1 N2O3C17H26 A2B3C17D26 -141.85 3.21 -8.96 0.09 0
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59936 24902551 1 N3O3C15H23 A3B3C15D23 -122.55 2.06 -9.53 -0.46 0
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59937 24902556 1 ClNF3O3C16H19 ABC3D3E16F19 -300.13 4.21 -9.42 -0.95 1
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59938 26512224 1 SN2O3C18H25 AB2C3D18E25 -56.8 4.06 0.0 0.0 1
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59939 26512226 1 SN2O3C18H25 AB2C3D18E25 -55.46 3.91 0.0 0.0 0
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59940 26512227 1 SN2O3C18H24 AB2C3D18E24 -74.35 5.17 -8.37 -0.15 1
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59941 26512228 1 SN2O5C17H27 AB2C5D17E27 -174.41 8.96 0.0 0.0 0
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59942 26512229 1 SN2O5C17H26 AB2C5D17E26 -193.14 6.45 -8.49 -0.04 1
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59943 26512230 1 SN2O5C17H27 AB2C5D17E27 -176.86 6.42 0.0 0.0 0
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59944 26512231 1 SN2O5C17H26 AB2C5D17E26 -195.94 3.79 -8.08 0.42 1
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59945 26512234 1 N3O4C22H28 A3B4C22D28 -96.93 4.32 0.0 0.0 0
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59946 26512235 1 N3O4C22H27 A3B4C22D27 -112.12 5.24 -8.1 -0.34 1
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59947 26512236 1 N2O4C21H29 A2B4C21D29 -103.09 4.36 0.0 0.0 0
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59948 26512237 1 N2O4C21H28 A2B4C21D28 -120.88 2.78 -8.31 0.15 1
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59949 26512238 1 N2O3C23H33 A2B3C23D33 -75.4 1.04 0.0 0.0 0
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59950 26512239 1 N2O3C23H32 A2B3C23D32 -95.3 5.67 -8.51 0.06 1
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59951 26512240 1 N2O3C23H33 A2B3C23D33 -76.82 4.08 0.0 0.0 0
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59952 26512241 1 N2O3C23H32 A2B3C23D32 -91.08 2.99 -8.27 0.15 1
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59953 26512244 1 N3O3C22H28 A3B3C22D28 -5.32 7.7 0.0 0.0 2
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59954 26512246 1 ClN3O3C23H32 AB3C3D23E32 24.16 37.96 -3.98 -2.0 0
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59955 26512247 1 ClN3O3C23H30 AB3C3D23E30 -79.23 4.97 -8.34 -0.06 1
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59956 26512250 1 N3O4C20H24 A3B4C20D24 -26.97 6.56 0.0 0.0 1
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59957 26512252 1 SN2O2C22H27 AB2C2D22E27 9.18 5.47 0.0 0.0 0
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59958 26512256 2 NOC9H10 ABC9D10 -3.2 6.02 -8.69 -0.47 1
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59959 26512257 1 N2O3C21H29 A2B3C21D29 -70.91 4.0 0.0 0.0 1
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59960 26512259 1 N2O3C21H27 A2B3C21D27 -60.9 7.58 0.0 0.0 0
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59961 26512260 1 N2O3C21H26 A2B3C21D26 -77.0 6.24 -8.52 -0.06 1
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59962 26512261 1 N2O3C20H33 A2B3C20D33 -118.31 4.39 0.0 0.0 1
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59963 26512265 1 N2O4C17H23 A2B4C17D23 -94.38 6.26 0.0 0.0 0
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59964 26512266 1 N2O4C17H22 A2B4C17D22 -109.66 6.61 -8.66 0.2 0
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59965 26512268 1 N3O3C23H33 A3B3C23D33 -89.71 8.01 -8.3 -0.06 1
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59966 26512273 1 N2O4C21H29 A2B4C21D29 -105.38 4.8 0.0 0.0 0
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59967 26512274 1 N2O4C21H28 A2B4C21D28 -127.47 2.03 -8.54 0.25 1
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59968 26512277 1 N2O5C22H31 A2B5C22D31 -144.29 7.11 0.0 0.0 1
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59969 26512279 1 N2O3C19H31 A2B3C19D31 -108.83 5.86 0.0 0.0 0
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59970 26512283 1 N2O3C16H26 A2B3C16D26 -121.44 5.01 -8.71 0.24 1
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59971 26512284 1 N3O5C19H30 A3B5C19D30 -179.46 7.74 0.0 0.0 0
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59972 26512285 1 N3O5C19H29 A3B5C19D29 -196.92 2.89 -8.77 0.18 0
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59973 26512295 1 N2O3C15H24 A2B3C15D24 -115.63 4.73 -8.69 0.27 0
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59974 26512303 1 FN3O3C19H20 AB3C3D19E20 -53.83 3.16 -8.71 -0.85 0
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59975 26512305 1 N3O4C20H23 A3B4C20D23 -44.03 3.0 -8.54 -0.18 1