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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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375218 131480927 1 NO3C11H15 AB3C11D15 -130.82 2.34 -8.98 0.34 0
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375219 131480928 1 NOC14H21 ABC14D21 -39.86 2.92 -8.96 0.37 0
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375220 131480934 1 BrFNO2C10H11 ABCD2E10F11 -114.22 4.7 -9.93 -0.74 0
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375221 131480946 1 NOC14H21 ABC14D21 -39.24 2.79 -8.46 0.07 0
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375222 131480948 1 ON3C12H21 AB3C12D21 -22.25 2.74 -8.64 -0.32 0
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375223 131480950 1 BrON2H9C10 ABC2D9E10 26.9 9.24 -9.63 -2.15 0
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375224 131480954 1 ClN2C13H17 AB2C13D17 24.22 2.09 -10.0 -0.52 0
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375225 131480958 1 NF3C8H14 AB3C8D14 -192.55 4.76 -9.53 1.78 -1
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375226 131480960 1 O3N5C8H8 A3B5C8D8 36.27 6.82 0.0 0.0 0
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375227 131480964 1 SO2N5C8H9 AB2C5D8E9 55.11 7.01 -9.29 -1.12 0
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375228 131480965 2 NOSH4C5 ABCD4E5 47.18 4.56 -8.71 -1.68 0
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375229 131480970 1 NCl2C12H13 AB2C12D13 2.76 1.06 -9.46 -0.32 0
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375230 131480972 1 BrNOC12H14 ABCD12E14 -4.11 2.36 -8.67 -0.16 0
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375231 131480973 1 FN2C8H11 AB2C8D11 -12.1 3.72 -9.33 -0.56 0
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375232 131480992 1 NF4H9C10 AB4C9D10 -190.67 2.39 -9.49 -0.2 0
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375233 131480995 1 N2O3C10H12 A2B3C10D12 -32.66 7.88 -9.59 -1.42 0
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375234 131480996 1 NSO3C10H13 ABC3D10E13 -107.85 4.16 -10.06 -0.77 0
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375235 131481006 1 BrSN2O3H7C9 ABC2D3E7F9 -36.4 2.73 -8.99 -1.43 0
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375236 131481007 1 BrSO4H7C10 ABC4D7E10 -101.24 5.2 -10.13 -1.81 0
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375237 131481008 1 ON4C10H10 AB4C10D10 66.54 8.41 -9.08 -0.82 0
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375238 131481009 1 N3C11H11 A3B11C11 56.48 5.4 -8.12 -0.27 0
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375239 131481016 1 ON4C11H16 AB4C11D16 -22.43 1.59 -9.45 -0.52 0
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375240 131481017 1 ON4C11H16 AB4C11D16 -15.63 4.13 -9.38 -0.58 0
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375241 131481025 1 N3O3C7H11 A3B3C7D11 -115.03 5.8 -10.03 -1.04 0
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375242 131481026 1 SN2C9H16 AB2C9D16 8.91 2.06 -8.77 0.63 0
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375243 131481027 1 FN3C12H14 AB3C12D14 7.4 4.73 -8.33 0.09 0
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375244 131481054 1 FN2O2C10H11 AB2C2D10E11 -113.87 2.57 -9.35 -0.64 0
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375245 131481063 1 ClNOC12H16 ABCD12E16 -48.81 1.9 -9.18 -0.39 0
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375246 131481065 1 NOC13H19 ABC13D19 -48.18 1.26 -8.65 0.22 0
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375247 131481067 1 FON2C11H11 ABC2D11E11 -23.25 4.18 -9.82 -1.02 0
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375248 131481073 1 ClOSN2C11H13 ABCD2E11F13 -21.24 1.97 -9.15 -0.9 0
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375249 131481076 1 N2H12C13 A2B12C13 63.46 5.41 -9.34 -1.13 0
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375250 131481077 1 BrNO2C11H14 ABC2D11E14 -67.49 3.52 -8.87 -0.07 0
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375251 131481078 1 BrFNO3C9H9 ABCD3E9F9 -147.76 3.81 -9.68 -1.09 0
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375252 131481082 1 BrO2N4H5C7 AB2C4D5E7 21.27 2.6 -9.86 -1.93 0
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375253 131481083 1 NC14H23 AB14C23 -17.94 2.31 -9.08 0.56 0
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375254 131485229 1 ClSF2O2H5C10 ABC2D2E5F10 -152.79 3.48 -9.61 -1.59 0
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375255 131485230 1 NF2O2C11H11 AB2C2D11E11 -154.89 4.05 -9.4 -0.46 0
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375256 131485232 1 NOC13H19 ABC13D19 -45.44 2.92 -8.55 0.39 0
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375257 131485239 1 NOC13H19 ABC13D19 -48.52 3.61 -8.37 0.52 0
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375258 131485240 1 NOC13H19 ABC13D19 -47.45 2.17 -8.46 0.27 0
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375259 131485246 1 SN2C9H10 AB2C9D10 53.47 2.42 -8.25 -0.25 0
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375260 131485247 1 SN2C9H10 AB2C9D10 55.01 2.31 -8.89 -0.25 0
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375261 131485249 1 BrNO2H10C11 ABC2D10E11 -25.28 3.85 -9.26 -0.73 0
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375262 131485250 1 BrNO2H10C11 ABC2D10E11 -24.41 2.62 -9.21 -0.66 0
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375263 131485251 1 BrNO2H10C11 ABC2D10E11 -27.36 3.5 -9.26 -0.74 0
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375264 131485253 1 BrNO2H10C11 ABC2D10E11 -8.63 2.51 -9.43 -1.4 0
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375265 131485254 1 BrNO2H10C11 ABC2D10E11 -26.27 3.72 -9.18 -0.66 0
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375266 131485255 1 BrNO2H10C11 ABC2D10E11 -20.85 4.57 -9.43 -1.14 0
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375267 131485258 1 BrNO2C11H16 ABC2D11E16 -81.91 4.58 -9.4 -0.51 0
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375268 131485259 1 BrNOC13H18 ABCD13E18 -43.6 3.13 -9.25 -0.34 0
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375269 131485261 1 NOC12H21 ABC12D21 -56.05 3.27 -10.47 1.2 0
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375270 131485262 1 NSCl2O3H9C10 ABC2D3E9F10 -88.04 7.82 -10.01 -1.35 0
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375271 131485263 1 ClFNSO3H9C10 ABCDE3F9G10 -130.68 8.72 -10.49 -1.27 0
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375272 131485265 1 HSCl2N2F3O3C7 ABC2D2E3F3G7 -215.28 4.31 -10.87 -2.5 0
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375273 131485266 1 HSCl2N2F3O3C7 ABC2D2E3F3G7 -216.78 2.47 -10.88 -2.72 0
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375274 131485267 1 HSCl2N2F3O3C7 ABC2D2E3F3G7 -210.63 4.12 -10.9 -2.64 0
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375275 131485268 1 HSCl2N2F3O3C7 ABC2D2E3F3G7 -208.47 5.96 -10.88 -2.52 0
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375276 131485269 1 HSCl2N2F3O3C7 ABC2D2E3F3G7 -217.14 5.81 -11.34 -2.55 0
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375277 131485270 1 HSCl2N2F3O3C7 ABC2D2E3F3G7 -213.26 2.28 -11.47 -2.73 0
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375278 131485271 1 HSCl2N2F3O3C7 ABC2D2E3F3G7 -209.52 4.64 -11.34 -2.78 0
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375279 131485276 1 HSCl2N2F3O3C7 ABC2D2E3F3G7 -211.47 3.66 -11.36 -2.6 0
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375280 131485279 1 BrO2N4C9H9 AB2C4D9E9 0.0 3.02 -9.61 -1.51 0
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375281 131485281 1 BrO2N4C9H9 AB2C4D9E9 -20.68 6.81 -10.09 -1.38 0
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375282 131485283 1 BrO2N4C9H9 AB2C4D9E9 -37.0 4.11 -8.95 -0.93 0
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375283 131485302 1 ClIOF3H7C9 ABCD3E7F9 -188.2 3.12 -9.62 -1.26 0
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375284 131485303 1 ClIOF3H7C9 ABCD3E7F9 -184.19 4.49 -9.84 -1.39 0
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375285 131485310 1 BrIOF3H7C9 ABCD3E7F9 -175.51 2.11 -9.75 -1.28 0
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375286 131485311 1 FNOSH8C11 ABCDE8F11 -27.38 3.97 -9.04 -1.02 0
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375287 131485312 1 FNOSH8C11 ABCDE8F11 -26.08 4.73 -9.09 -1.08 0
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375288 131485317 1 FNOSH8C11 ABCDE8F11 -26.56 4.31 -9.05 -1.0 0
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375289 131485318 1 FNOSH8C11 ABCDE8F11 -29.32 3.05 -9.15 -1.06 0
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375290 131485319 1 FNOSH8C11 ABCDE8F11 -25.36 3.51 -9.07 -1.07 0
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375291 131485325 1 ClIOF3H7C9 ABCD3E7F9 -184.39 3.33 -9.78 -1.32 0
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375292 131485327 1 ClIOF3H7C9 ABCD3E7F9 -183.3 3.76 -9.77 -1.38 0