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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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52927 14709221 1 O3C13H26 A3B13C26 -181.77 3.81 -10.17 1.57 0
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52928 14709223 1 O3C11H22 A3B11C22 -166.01 1.73 -9.92 0.54 0
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52929 14709227 1 NH21C27 AB21C27 135.9 2.09 -9.15 -0.49 0
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52930 14709228 1 NH19C22 AB19C22 97.78 2.36 -8.71 -0.16 0
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52931 14709229 1 NC17H17 AB17C17 65.74 2.52 -8.69 0.12 0
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52932 14709232 2 NSH9C10 ABC9D10 90.62 3.07 -8.72 -0.66 0
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52933 14709234 1 NSC17H17 ABC17D17 51.55 0.96 -8.77 -0.34 0
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52934 14709235 1 NSC18H19 ABC18D19 40.92 1.63 -8.8 -0.19 0
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52935 14709236 1 NSC12H17 ABC12D17 -0.28 2.04 -8.62 0.26 0
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52936 14709238 1 KN2O2S2C11H13 AB2C2D2E11F13 -86.21 12.13 -7.55 -0.46 0
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52937 14709239 1 N2O2S2C11H14 A2B2C2D11E14 -28.57 2.28 -8.89 -0.95 0
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52938 14709245 1 N2O2S2C13H18 A2B2C2D13E18 -38.12 2.3 -8.9 -1.0 0
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52939 14709248 1 OSN4C13H18 ABC4D13E18 29.88 4.75 -8.66 -0.25 0
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52940 14709249 1 OS2N5C12H15 AB2C5D12E15 60.85 4.98 -8.68 -0.9 0
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52941 14709250 1 OS2N5C17H17 AB2C5D17E17 91.2 4.41 -8.71 -1.05 0
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52942 14709252 1 SO2N4C11H12 AB2C4D11E12 15.09 4.6 -8.84 -0.81 0
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52943 14709253 1 SO2N4C12H14 AB2C4D12E14 2.84 3.62 -8.67 -0.75 0
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52944 14709258 1 OSN6H14C18 ABC6D14E18 130.49 7.15 -8.85 -1.54 0
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52945 14709262 1 OSN6H20C21 ABC6D20E21 114.06 8.83 -8.82 -1.51 0
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52946 14709264 1 NSF3H12C16 ABC3D12E16 -74.83 5.45 -9.75 -1.01 0
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52947 14709265 1 ClNSF3H9C15 ABCD3E9F15 -74.61 3.26 -9.93 -1.14 0
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52948 14709268 1 OSH14C18 ABC14D18 31.72 1.84 -8.67 -0.6 0
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52949 14709269 1 SH12C18 AB12C18 72.33 1.73 -8.14 -1.09 0
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52950 14709271 1 SO2H16C18 AB2C16D18 -39.65 3.68 -8.88 -0.44 0
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52951 14709278 1 ON2C11H14 AB2C11D14 -11.38 2.7 -8.48 0.3 0
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52952 14709279 1 O2N3C18H19 A2B3C18D19 -20.63 1.95 -8.92 -0.28 0
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52953 14709280 1 O2N3C18H19 A2B3C18D19 -21.38 5.43 -8.71 -0.06 0
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52954 14709284 1 OSN3C20H23 ABC3D20E23 3.13 1.36 -9.02 -0.66 0
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52955 14709285 1 SO2N3C19H21 AB2C3D19E21 -20.38 1.14 -8.33 -0.59 0
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52956 14709286 1 ClOSN3C18H18 ABCD3E18F18 8.67 3.51 -8.88 -0.69 0
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52957 14709289 1 SO2N3C19H21 AB2C3D19E21 -20.4 6.07 -8.2 -0.25 0
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52958 14709291 1 O2N3C19H21 A2B3C19D21 -22.61 1.97 -8.93 -0.22 0
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52959 14709292 1 O2N3C20H23 A2B3C20D23 -35.59 1.65 -9.06 -0.35 0
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52960 14709294 1 O2N3C19H21 A2B3C19D21 -23.7 4.86 -9.06 0.05 0
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52961 14709297 1 OSN3C19H21 ABC3D19E21 27.16 0.63 -8.9 -0.46 0
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52962 14709299 1 OSN3H21C23 ABC3D21E23 62.71 3.85 -8.72 -0.3 0
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52963 14709301 1 OSN3H21C23 ABC3D21E23 63.54 5.43 -8.71 -0.24 0
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52964 14709302 1 BrNOC14H16 ABCD14E16 -16.88 4.82 -8.35 -0.36 1
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52965 14709303 1 NOC14H16 ABC14D16 2.12 3.22 0.0 0.0 0
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52966 14709304 1 BrNOC14H16 ABCD14E16 -10.24 4.7 -8.1 -0.34 0
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52967 14709307 1 BrNOC14H16 ABCD14E16 -11.93 5.33 -8.18 -0.25 1
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52968 14709309 1 NOC14H16 ABC14D16 1.71 2.17 0.0 0.0 0
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52969 14709310 1 BrNOC14H16 ABCD14E16 -4.99 11.1 -8.51 -1.65 0
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52970 14709312 1 BrNC14H14 ABC14D14 52.68 6.79 -7.79 -1.42 1
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52971 14709313 1 NC14H14 AB14C14 63.26 1.26 0.0 0.0 0
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52972 14709314 1 BrNC14H14 ABC14D14 51.03 6.21 -7.93 -1.42 0
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52973 14709316 1 ClNO4C14H14 ABC4D14E14 61.57 11.58 -9.62 -2.37 0
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52974 14709317 1 ClNO4C14H14 ABC4D14E14 57.3 14.79 -9.81 -2.35 0
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52975 14709318 1 ClNO4C14H14 ABC4D14E14 56.69 11.6 -9.83 -2.44 1
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52976 14709320 1 NC14H14 AB14C14 63.88 1.17 0.0 0.0 0