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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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446952 135279067 1 BrFSN2O4H18C23 ABCD2E4F18G23 -35.12 7.75 -8.6 -1.1 0
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446953 135279070 1 PSF2O2N4H25C26 ABC2D2E4F25G26 -93.23 2.26 -8.55 -0.66 0
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446954 135279076 1 N2O2C21H30 A2B2C21D30 -61.58 4.6 -9.02 -0.45 0
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446955 135279080 1 INSF2O4H16C19 ABCD2E4F16G19 -190.74 6.21 -9.23 -2.54 0
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446956 135279088 1 N3C14H29 A3B14C29 -11.65 2.05 -8.15 2.56 0
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446957 135279095 1 O3N4C21H42 A3B4C21D42 -124.81 1.6 -8.37 1.85 0
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446958 135279097 1 ClN5O6C38H46 AB5C6D38E46 -230.82 11.42 -9.3 -0.73 0
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446959 135279098 1 ON3C14H17 AB3C14D17 -11.37 4.74 -8.4 -0.27 0
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446960 135279116 1 NS2O3C6H13 AB2C3D6E13 -94.64 3.52 -9.29 -1.37 0
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446961 135279118 1 OSN2C20H22 ABC2D20E22 31.58 2.58 -8.49 -0.36 0
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446962 135279134 1 O5N7C31H39 A5B7C31D39 -140.77 6.06 -8.52 -0.51 0
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446963 135279148 2 N2O3C12H15 A2B3C12D15 -225.93 6.17 -9.02 -1.05 0
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446964 135279150 1 OSF2C8H8 ABC2D8E8 -107.27 3.7 -9.17 -0.98 1
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446965 135279153 1 NOC16H32 ABC16D32 -53.11 1.95 0.0 0.0 1
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446966 135279154 1 NOC14H30 ABC14D30 -46.68 3.15 0.0 0.0 0
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446967 135279165 1 N2O5C31H38 A2B5C31D38 -84.44 4.68 -8.52 0.04 0
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446968 135279166 1 ON4C36H36 AB4C36D36 116.12 4.06 -8.43 -0.36 0
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446969 135279173 2 NO5C17H36 AB5C17D36 -500.45 2.23 -9.02 1.01 0
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446970 135279198 1 ON5H23C24 AB5C23D24 82.85 6.94 -8.82 -0.81 0
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446971 135279214 1 O3N5C18H31 A3B5C18D31 -37.17 4.72 -8.24 0.0 0
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446972 135279219 2 O2C12H15 A2B12C15 -151.78 3.13 -9.16 -0.48 0
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446973 135279239 1 FO3N6C26H35 AB3C6D26E35 -111.87 1.29 -8.8 -0.8 0
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446974 135279240 1 FO3N6C26H35 AB3C6D26E35 -110.99 2.31 -8.75 -0.75 0
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446975 135279241 1 FO3N6C26H37 AB3C6D26E37 -131.82 2.11 -8.65 -0.32 0
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446976 135279242 1 N5O5C42H43 A5B5C42D43 -104.61 8.27 -8.49 -0.84 0
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446977 135279247 2 NC10H20 AB10C20 -34.98 1.01 -8.32 3.0 0
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446978 135279248 1 NSO3C15H19 ABC3D15E19 -69.72 4.4 -8.77 -1.02 0
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446979 135279257 1 ON3C17H35 AB3C17D35 -55.04 2.19 -8.38 1.13 0
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446980 135279281 1 ON4C34H38 AB4C34D38 59.84 5.16 -8.1 -0.18 0
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446981 135279289 1 ClFON5C20H23 ABCD5E20F23 -21.7 4.79 -9.11 -0.87 0
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446982 135279291 1 SO4N6C24H32 AB4C6D24E32 -74.93 7.88 -8.72 -0.7 0
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446983 135279303 6 NC5H10 AB5C10 -27.14 3.24 -8.08 2.54 0
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446984 135279307 1 FON6C21H25 ABC6D21E25 16.9 4.84 -8.63 -0.61 0
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446985 135279310 1 ON2C16H26 AB2C16D26 -44.93 1.71 -8.87 0.04 0
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446986 135279313 1 NOC20H33 ABC20D33 -53.9 2.78 -8.71 0.24 0
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446987 135279318 1 FO2N3C21H30 AB2C3D21E30 -116.11 1.28 -8.57 -0.12 0
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446988 135279326 1 N2O3C13H20 A2B3C13D20 -92.75 3.32 -8.82 -0.41 0
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446989 135279335 1 N2O5C34H46 A2B5C34D46 -149.34 4.08 -7.97 0.17 0
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446990 135279350 1 FO3N6C26H33 AB3C6D26E33 -85.59 1.41 -8.75 -0.72 0
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446991 135279362 2 O2N3H20C21 A2B3C20D21 -9.93 5.68 -8.38 -0.59 0
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446992 135279371 1 F2N3C15H19 A2B3C15D19 -58.4 1.34 -8.94 -0.45 0
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446993 135279373 1 F2N3O3H21C23 A2B3C3D21E23 -135.43 4.54 -8.78 -0.75 -1
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446994 135279388 1 SN2O5C25H29 AB2C5D25E29 -72.49 6.99 0.0 0.0 0
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446995 135279391 1 OSC17H24 ABC17D24 -28.57 3.3 -8.68 0.49 0
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446996 135279394 3 O2H8C9 A2B8C9 -173.25 3.21 -9.38 -0.96 0
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446997 135279406 1 SN4O6C26H36 AB4C6D26E36 -166.1 2.45 -7.03 -0.6 0
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446998 135279413 1 F3O3N4C26H27 A3B3C4D26E27 -173.16 4.33 -8.76 -0.74 0
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446999 135279419 1 FO3N5H24C26 AB3C5D24E26 -13.82 5.21 -9.34 -0.72 0
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447000 135279422 1 FN3O3H26C29 AB3C3D26E29 -54.47 10.82 -9.32 -0.92 0
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447001 135279426 1 FN2O4C27H27 AB2C4D27E27 -132.52 11.31 -9.41 -0.67 0