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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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228939 87566301 1 ClN2O2F6H25C26 AB2C2D6E25F26 -379.88 6.09 -9.62 -0.65 0
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228940 87566306 1 O2N3F6H23C25 A2B3C6D23E25 -333.53 5.7 -9.45 -0.88 0
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228941 87566310 1 ClFSN3O4C25H29 ABCD3E4F25G29 -147.97 9.05 -9.06 -0.59 0
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228942 87566311 1 FSN3O4C25H28 ABC3D4E25F28 -117.07 1.14 -8.89 -0.22 0
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228943 87566312 1 ClSO2N5C17H22 ABC2D5E17F22 -10.46 4.7 -9.1 -0.67 0
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228944 87566317 1 SO3N4C18H28 AB3C4D18E28 -112.22 4.76 -8.62 -0.12 0
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228945 87566321 1 FSN3O4C21H24 ABC3D4E21F24 -145.99 3.37 -9.11 -0.43 -4
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228947 87566324 1 N7O7C29H43 A7B7C29D43 -303.36 4.57 -9.45 -1.29 0
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228948 87566325 1 FSO4N5C26H32 ABC4D5E26F32 -102.33 4.85 -9.06 -0.59 0
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228949 87566331 1 ClN2O2C9H9 AB2C2D9E9 -42.26 2.42 -9.55 -0.14 0
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228950 87566347 1 SN2O5F6C17H18 AB2C5D6E17F18 -481.87 5.43 -9.77 -1.06 0
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228951 87566364 1 O10C15H28 A10B15C28 -477.46 5.98 -10.6 -0.61 1
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228952 87566368 1 NSO4C13H18 ABC4D13E18 -127.61 2.39 0.0 0.0 0
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228953 87566376 1 ClFSO2N4C22H26 ABCD2E4F22G26 -64.02 2.07 -8.95 -0.43 0
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228954 87566378 1 O5C6H14 A5B6C14 -235.08 6.06 -10.23 0.7 0
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228955 87566387 1 FSN4O4C21H25 ABC4D4E21F25 -136.09 3.79 -9.19 -0.31 0
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228956 87566397 1 O5C10H22 A5B10C22 -256.74 6.2 -10.52 0.36 0
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228957 87566412 1 O7C15H32 A7B15C32 -347.7 6.93 -9.53 0.04 0
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228958 87566414 1 FSN3O4C26H30 ABC3D4E26F30 -123.76 4.63 -8.77 -0.34 0
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228959 87566431 1 FOS2N3C19H20 ABC2D3E19F20 26.16 3.06 -9.1 -0.86 0
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228960 87566436 1 NO2C21H23 AB2C21D23 1.96 6.78 -8.86 -0.47 0
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228961 87566438 1 N2C19H22 A2B19C22 83.97 2.82 -8.86 -0.53 0
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228962 87566440 1 ClNOF3H9C15 ABCD3E9F15 -127.42 5.19 -10.07 -1.54 0
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228963 87566446 1 FS2N3O3C22H24 AB2C3D3E22F24 -48.08 2.71 -9.24 -1.08 0
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228964 87566453 1 FSN3O3C23H26 ABC3D3E23F26 -74.48 3.36 -8.79 -0.26 1