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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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23263 602951 1 NSeH5C7 ABC5D7 96.23 3.32 -8.42 -1.23 0
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23264 602953 1 OSiC11H22 ABC11D22 -122.31 0.97 -8.99 1.28 0
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23266 602956 1 NiSi2C7H18 AB2C7D18 13.04 0.56 -7.44 -0.53 0
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23267 602958 6 CH AB 24.19 0.0 -9.64 0.38 -2
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23268 602959 2 BrNOH7C8 ABCD7E8 -33.1 2.69 -9.8 -0.65 0
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23269 602960 3 NC5H5 AB5C5 81.83 3.47 -8.75 -0.5 0
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23270 602961 1 NO4C8H9 AB4C8D9 -68.46 5.8 -9.78 -1.2 0
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23271 602962 2 NOC9H9 ABC9D9 -18.46 0.98 -8.83 -0.26 0
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23272 602963 1 SN3O6C7H7 AB3C6D7E7 -69.76 3.67 -10.15 -1.99 0
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23273 602966 1 OSN3C7H9 ABC3D7E9 -4.53 5.1 -9.06 -0.84 0
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23274 602967 1 BrO2C13H17 AB2C13D17 -84.35 3.02 -9.88 -0.77 0
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23275 602968 1 NSI2H5C11 ABC2D5E11 104.07 2.63 -8.95 -1.58 0
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23276 602975 1 SN2O2H18C19 AB2C2D18E19 10.11 7.71 -8.67 -0.78 0
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23277 602976 1 SN2O2C16H20 AB2C2D16E20 -39.91 4.17 -9.0 -0.78 0
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23278 602977 1 ON2C20H24 AB2C20D24 -16.61 3.74 -8.99 -0.03 0
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23279 602984 1 N3O3C21H35 A3B3C21D35 -166.9 5.27 -8.95 0.27 0
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23280 602985 1 ON2C12H24 AB2C12D24 -84.03 2.5 -8.68 1.18 0
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23281 602986 1 PO5C15H21 AB5C15D21 -251.28 3.47 -9.72 -0.61 0
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23282 602988 1 SeN2H10C14 AB2C10D14 124.6 2.49 -8.93 -0.73 0
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23283 602990 2 OC11H13 AB11C13 -49.75 3.65 -9.39 0.16 0
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23284 602996 1 OSC17H18 ABC17D18 13.38 1.35 -8.45 0.13 0
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23285 602997 2 O2H9C11 A2B9C11 -78.9 3.9 -9.52 -0.87 0
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23286 602998 2 NOC12H12 ABC12D12 -0.44 3.36 -8.43 -0.18 0
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23287 603006 1 SO2N5C9H11 AB2C5D9E11 22.23 8.19 -10.59 -1.02 0
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23288 603011 1 ClOSiC11H21 ABCD11E21 -130.2 2.55 -9.2 0.88 0
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23289 603014 1 FON2H11C15 ABC2D11E15 4.96 4.72 -9.21 -1.2 0
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23290 603015 1 SO5C11H12 AB5C11D12 -187.75 3.24 -10.78 -1.71 0
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23291 603016 1 NOSC9H13 ABCD9E13 -23.79 2.37 -8.06 -0.1 0
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23292 603017 1 FeP2O3H22C28 AB2C3D22E28 -9.16 1.94 -7.48 0.25 0
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23293 603018 1 PO5C7H15 AB5C7D15 -261.15 3.77 -9.58 0.34 0
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23294 603019 1 N2O5C11H16 A2B5C11D16 -156.88 2.27 -9.59 -0.16 0
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23295 603020 1 OSiC26H40 ABC26D40 -97.8 2.33 -9.23 -0.03 0
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23296 603021 1 Cl2O3N6C14H14 A2B3C6D14E14 -19.08 6.19 -9.45 -1.08 0
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23297 603022 1 ClOSF3N3H7C11 ABCD3E3F7G11 -120.12 5.3 -9.79 -1.52 0
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23298 603023 1 ON3C9H17 AB3C9D17 -47.65 4.61 -9.16 0.55 0
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23299 603025 4 HC2F2 AB2C2 -367.05 0.0 -12.5 0.71 0
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23300 603028 1 N2O3C18H18 A2B3C18D18 -95.73 2.3 -9.05 -0.7 0
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23301 603033 1 ClO2C10H11 AB2C10D11 -78.17 2.16 -9.54 -0.21 0
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23302 603037 1 OSiC19H26 ABC19D26 -66.59 2.29 -9.2 -0.06 0
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23303 603038 1 N3H9C11 A3B9C11 83.41 6.14 -8.86 -1.05 0
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23304 603039 1 O3H20C23 A3B20C23 -40.67 2.21 -8.46 -0.37 0
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23305 603040 1 SN2O2C18H18 AB2C2D18E18 -30.2 5.27 -8.41 -0.76 0
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23306 603042 1 SN2O2C18H18 AB2C2D18E18 -19.3 7.89 -8.75 -1.08 0
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23307 603043 1 SN2O2C18H18 AB2C2D18E18 -19.09 8.26 -8.65 -0.84 0
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23308 603044 1 NO3C20H29 AB3C20D29 -104.25 4.4 -9.31 -0.67 0
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23309 603045 1 F2N2O3C14H14 A2B2C3D14E14 -193.7 5.45 -9.49 -0.63 0
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23310 603046 1 IN2O3C14H15 AB2C3D14E15 -85.5 4.66 -9.32 -0.82 0
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23311 603049 1 NSO2C8H9 ABC2D8E9 -15.62 3.63 -9.23 -0.91 0
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23312 603051 1 NOH9C12 ABC9D12 19.53 5.02 -9.33 -1.11 0
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23313 603052 1 NOH9C12 ABC9D12 46.34 2.99 -9.37 -1.71 0